Acetic Acid → HCID 86593874, compound

HRID 694539Notes

Reaction equation

HRID 694539 reaction equation
[C:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)(=[O:27])[Cl:28].[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][OH:50].[Cl:42][CH2:43][Cl:44].[Cl:51][CH2:52][Cl:53].[OH:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([C:9](=[O:10])[OH:11])[cH:8]2)[cH:12][cH:13]1.[OH:29][C:30]([CH2:31][C:32]([C:33](=[O:34])[OH:35])([CH2:36][C:37](=[O:38])[OH:39])[OH:40])=[O:41].[cH:14]1[cH:15][cH:16][n:17][cH:18][cH:19]1>>[OH:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([C:9]([O:10][C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:27])=[O:11])[cH:8]2)[cH:12][cH:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 311Citric AcidHCID 887MethanolHCID 1049PyridineHCID 6344Dichloromethane2×HCID 7412Benzoyl chlorideHCID 2686515-hydroxybenzo[b]thiophene-2-carboxylic acid

Product 1

HCID 86593874HCID 86593874, compound

Sources & evidence

ORD record
ord-091d19d125924b85bb0572fde798de1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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