Benzoic Acid → Benzoate

HRID 140962Notes

Reaction equation

HRID 140962 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:8]2=[N:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[NH:16][c:17]3[s:18][c:19]([CH3:20])[cH:21][c:22]32)[CH2:6][CH2:7]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[OH:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:8]2=[N:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[NH:16][c:17]3[s:18][c:19]([CH3:20])[cH:21][c:22]32)[CH2:6][CH2:7]1.[O:23]=[C:24]([O-:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1

Participants

5

Reactant 3

HCID 243Benzoic AcidHCID 8857Ethyl AcetateHCID 135398745Olanzapine

Product 2

HCID 242BenzoateHCID 135398745Olanzapine

Sources & evidence

ORD record
ord-931aa549462941ec93e8ee996ffcc395
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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