Acetic Acid → HCID 178427097, compound

HRID 180111Notes

Reaction equation

HRID 180111 reaction equation
[CH2:44]([OH:45])[CH3:46].[CH3:51][C:52](=[O:53])[OH:54].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH2:10][CH2:11][S:12][CH3:13])[NH:14][C:15]([c:16]3[cH:17][c:18]([CH3:29])[c:19]([C:22](=[O:23])[N:24]4[CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:20][cH:21]3)=[O:30])[n:8]2)[cH:31][cH:32]1.[Cl:47][CH2:48][Cl:49].[Cl:50].[OH:33][O:34][C:35]([c:36]1[cH:37][c:38]([Cl:39])[cH:40][cH:41][cH:42]1)=[O:43]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH2:10][CH2:11][S:12]([CH3:13])=[O:33])[NH:14][C:15]([c:16]3[cH:17][c:18]([CH3:29])[c:19]([C:22](=[O:23])[N:24]4[CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:20][cH:21]3)=[O:30])[n:8]2)[cH:31][cH:32]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 178503733HCID 178503733, compound

Product 1

HCID 178427097HCID 178427097, compound

Sources & evidence

ORD record
ord-b58441799d5e496fbd79e08fcd187bbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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