Benzoic Acid → Benzoate

HRID 2314044Notes

Reaction equation

HRID 2314044 reaction equation
[CH3:10][N:11]1[CH2:12][CH2:13][N:14]([C:17]2=[N:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[NH:25][c:26]3[s:27][c:28]([CH3:29])[cH:30][c:31]32)[CH2:15][CH2:16]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[CH3:10][N:11]1[CH2:12][CH2:13][N:14]([C:17]2=[N:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[NH:25][c:26]3[s:27][c:28]([CH3:29])[cH:30][c:31]32)[CH2:15][CH2:16]1.[O:1]=[C:2]([O-:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1

Participants

5

Reactant 3

HCID 243Benzoic AcidHCID 8857Ethyl AcetateHCID 135398745Olanzapine

Product 2

HCID 242BenzoateHCID 135398745Olanzapine

Sources & evidence

ORD record
ord-aa67ebb7536e4e89b0c7e6a08ac848fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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