Dichloromethane → 3-Chlorobenzoic Acid

HRID 1567065Notes

Reaction equation

HRID 1567065 reaction equation
[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[O:6][CH:7]([CH3:8])[O:9][C:10](=[O:11])[O:12][CH:13]1[C:14](=[O:15])[NH:16][C:17](=[O:19])[CH2:18]1.[C:28](=[O:29])([S:30][CH3:31])[O:32][CH:33]([O:34][C:35](=[O:36])[CH:37]([CH3:38])[CH3:39])[CH3:40].[Cl:41][c:42]1[cH:43][c:44]([C:48](=[O:49])[O:50][OH:51])[cH:45][cH:46][cH:47]1.[Cl:52][CH2:53][Cl:54].[OH:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27]>>[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[O:6][CH:7]([CH3:8])[O:9][C:10](=[O:11])[O:12][CH:13]1[C:14](=[O:15])[NH:16][C:17](=[O:19])[CH2:18]1.[Cl:41][c:42]1[cH:43][c:44]([C:48](=[O:49])[OH:50])[cH:45][cH:46][cH:47]1

Participants

7

Reactant 5

HCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 80170N-HydroxysuccinimideHCID 577926891-[[(Methylthio)carbonyl]oxy]ethyl 2-methylpropanoateHCID 66743414[(1-Isobutanoyloxyethoxy)carbonyloxy]succinimide

Product 2

HCID 4473-Chlorobenzoic AcidHCID 66743414[(1-Isobutanoyloxyethoxy)carbonyloxy]succinimide

Sources & evidence

ORD record
ord-daf1105b10a840e1b5200fb121b7c16b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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