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ESP charges for selected atoms for the reaction in DCM(GP) for Scheme 1c.
| Atom | Reactant | Transition State | Product |
|---|---|---|---|
| C(1) | 0.90(0.89) | 0.92(1.02) | 0.93(0.93) |
| O(13) | −0.45(−0.45) | −0.66(−0.66) | −0.60(−0.60) |
| N(43) | −0.95(−0.94) | −0.76(−0.76) | −0.79(−0.78) |
| H(44) | 0.39(0.39) | 0.42(0.43) | 0.40(00.39) |
| H(45) | 0.38(0.38) | 0.41(0.41) | 0.43(00.44) |
