Carbon Tetrachloride → Chloride

Reaction equation

[C:32]([Cl:33])([Cl:34])([Cl:35])[Cl:36].[CH3:27][N:28]([CH3:29])[CH:30]=[O:31].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:9]2[n:10][n:11](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:12][c:13]2[C:14](=[O:15])[NH2:16])[o:8]1.[S:23](=[O:24])([Cl:25])[Cl:26]>>[Cl-:25].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:9]2[n:10][n:11](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:12][c:13]2[C:14](=[O:15])[OH:24])[o:8]1

Participants

Reactant 4

HCID 5943Carbon Tetrachloride

HCID 6228Dimethylformamide

HCID 24386Thionyl Chloride

HCID 203261233-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carboxamide

Product 2

HCID 312Chloride

HCID 203259643-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid

Sources & evidence

ORD record: ord-0bfac70de8b14aff955f321814e773e8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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