Acetone → Benzoate

HRID 1201782Notes

Reaction equation

HRID 1201782 reaction equation
[CH3:1][C:2](=[O:3])[CH3:4].[CH3:44][O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[CH3:5][O:6][c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1[O:13][CH2:14][CH2:15][NH:16][CH2:17][CH:18]([OH:19])[CH2:20][O:21][c:22]1[cH:23][cH:24][cH:25][c:26]2[nH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]3[c:34]12.[OH:35][C:36](=[O:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH3:5][O:6][c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1[O:13][CH2:14][CH2:15][NH:16][CH2:17][CH:18]([OH:19])[CH2:20][O:21][c:22]1[cH:23][cH:24][cH:25][c:26]2[nH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]3[c:34]12.[O:35]=[C:36]([O-:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1

Participants

6

Reactant 4

HCID 180AcetoneHCID 243Benzoic AcidHCID 2585CarvedilolHCID 15413tert-Butyl methyl ether

Product 2

HCID 242BenzoateHCID 2585Carvedilol

Sources & evidence

ORD record
ord-073b804f7c814a2aaf26a71f7650b85c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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