Acetic Acid → HCID 178525352, compound

HRID 182716Notes

Reaction equation

HRID 182716 reaction equation
[C:1](=[O:2])([CH3:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][c:12]1[cH:13][nH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[C:21](=[O:22])[OH:23])[C:24]([F:25])([F:26])[F:27].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:50][OH:51].[CH3:52][C:53](=[O:54])[OH:55].[K+:33].[NH4+:47].[OH-:48].[OH2:49].[S:28]([O-:29])([OH:30])(=[O:31])=[O:32]>>[SH:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][c:12]1[cH:13][nH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[C:21](=[O:22])[OH:23])[C:24]([F:25])([F:26])[F:27]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 223AmmoniumHCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 61778Sulfate, hydrogenHCID 178477116HCID 178477116, compound

Product 1

HCID 178525352HCID 178525352, compound

Sources & evidence

ORD record
ord-cfc169a001ae4158a86e35e88fb5948f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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