Acetic Acid → HCID 178427055, compound

HRID 294184Notes

Reaction equation

HRID 294184 reaction equation
[C:41](=[O:42])([O-:43])[OH:44].[CH3:49][C:50](=[O:51])[OH:52].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH3:10])[NH:11][C:12]([c:13]3[cH:14][c:15]([CH3:26])[c:16]([N:19]4[C:20](=[O:25])[CH2:21][S:22][CH2:23][CH2:24]4)[cH:17][cH:18]3)=[O:27])[n:8]2)[cH:28][cH:29]1.[Cl:46][CH2:47][Cl:48].[Na+:45].[OH:30][O:31][C:32]([c:33]1[cH:34][c:35]([Cl:36])[cH:37][cH:38][cH:39]1)=[O:40]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH3:10])[NH:11][C:12]([c:13]3[cH:14][c:15]([CH3:26])[c:16]([N:19]4[C:20](=[O:25])[CH2:21][S:22](=[O:30])[CH2:23][CH2:24]4)[cH:17][cH:18]3)=[O:27])[n:8]2)[cH:28][cH:29]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 178427054HCID 178427054, compound

Product 1

HCID 178427055HCID 178427055, compound

Sources & evidence

ORD record
ord-144d603e423c48e3b35492e335e9092d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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