Bicarbonate Ion → 2-Bromomethyl-3-chloro-benzoic acid methyl ester

HRID 125504Notes

Reaction equation

HRID 125504 reaction equation
[Br:13][N:14]1[C:15](=[O:16])[CH2:17][CH2:18][C:19]1=[O:20].[C:21]([O:22][O:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)(=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[C:39](=[O:40])([OH:41])[O-:42].[C:51]([Cl:52])([Cl:53])([Cl:54])[Cl:55].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[c:3]([CH3:12])[c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][cH:11]1.[Na+:43].[OH2:44]>>[Cl:1][c:2]1[c:3]([CH2:12][Br:13])[c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][cH:11]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 5943Carbon TetrachlorideHCID 7187Benzoyl PeroxideHCID 8857Ethyl AcetateHCID 67184N-bromobutanimideHCID 5077673Methyl 3-chloro-2-methylbenzoate

Product 1

HCID 110327262-Bromomethyl-3-chloro-benzoic acid methyl ester

Sources & evidence

ORD record
ord-90b5df550785426c859042b630faab8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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