Chloride → 5-{2-[2-(Acetylamino)-1,3-thiazol-4-yl]vinyl}thiophene-2-carboxylic acid

HRID 112108

Reaction equation

HRID 112108 reaction equation
[C:2]([CH3:3])(=[O:4])[NH:5][c:6]1[s:7][cH:8][c:9]([CH2:11][P+:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:10]1.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:37](=[O:38])[c:39]1[cH:40][cH:41][c:42]([C:44](=[O:45])[OH:46])[s:43]1.[Cl-:1].[K+:36].[OH2:47]>>[C:2]([CH3:3])(=[O:4])[NH:5][c:6]1[s:7][cH:8][c:9]([CH:11]=[CH:37][c:39]2[cH:40][cH:41][c:42]([C:44](=[O:45])[OH:46])[s:43]2)[n:10]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 8188825-Formyl-2-thiophenecarboxylic AcidHCID 45749132-Methylpropan-2-olateHCID 86092823(2-Acetamido-1,3-thiazol-4-yl)methyl-triphenylphosphanium

Product 1

HCID 866500055-{2-[2-(Acetylamino)-1,3-thiazol-4-yl]vinyl}thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-01ed0124f45b4c178af63c2841e62887
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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