Acetic Acid → HCID 178453070, compound

HRID 669227Notes

Reaction equation

HRID 669227 reaction equation
[CH3:54][OH:55].[CH3:60][C:61](=[O:62])[OH:63].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH2:10][CH2:11][S:12](=[O:13])[CH3:14])[NH:15][C:16]([c:17]3[cH:18][c:19]([Cl:39])[c:20]([C:23](=[O:24])[N:25]4[CH:26]([CH2:30][NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:27][CH2:28][CH2:29]4)[cH:21][cH:22]3)=[O:40])[n:8]2)[cH:41][cH:42]1.[Cl:56][CH2:57][Cl:58].[Cl:59].[OH:43][O:44][C:45]([c:46]1[cH:47][c:48]([Cl:49])[cH:50][cH:51][cH:52]1)=[O:53]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH2:10][CH2:11][S:12](=[O:13])([CH3:14])=[O:43])[NH:15][C:16]([c:17]3[cH:18][c:19]([Cl:39])[c:20]([C:23](=[O:24])[N:25]4[CH:26]([CH2:30][NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:27][CH2:28][CH2:29]4)[cH:21][cH:22]3)=[O:40])[n:8]2)[cH:41][cH:42]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 178504639HCID 178504639, compound

Product 1

HCID 178453070HCID 178453070, compound

Sources & evidence

ORD record
ord-ab8893606b614e2d819efc6c9cd2d782
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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