Acetic Acid → HCID 72556533, compound

HRID 1571109Notes

Reaction equation

HRID 1571109 reaction equation
[CH3:38][C:39](=[O:40])[OH:41].[CH:34]([O-:35])=[O:36].[NH4+:37].[O:1]=[C:2]1[S:3][C:4](=[CH:8][c:9]2[cH:10][cH:11][c:12]([O:13][c:14]3[cH:15][cH:16][c:17]([C:20]([C:21](=[O:22])[OH:23])=[CH:24][c:25]4[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]4)[cH:18][cH:19]3)[cH:32][cH:33]2)[C:5](=[O:7])[NH:6]1>>[O:1]=[C:2]1[S:3][CH:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([O:13][c:14]3[cH:15][cH:16][c:17]([C:20]([C:21](=[O:22])[OH:23])=[CH:24][c:25]4[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]4)[cH:18][cH:19]3)[cH:32][cH:33]2)[C:5](=[O:7])[NH:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 223AmmoniumHCID 283FormateHCID 725565302-{4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-phenoxy]-phenyl}-3-p-tolylacrylic acid

Product 1

HCID 72556533HCID 72556533, compound

Sources & evidence

ORD record
ord-9393b16bb316447bbbc8c13e90b9a622
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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