Ammonium → 3-amino-4-cyano-N-[2,6-dimethyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-phenyl]-2-fluorobenzamide

HRID 284617Notes

Reaction equation

HRID 284617 reaction equation
[C:1](#[N:2])[c:3]1[c:4]([F:31])[c:5]([F:30])[c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([CH3:27])[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[F:26])[cH:14][c:15]2[CH3:16])[cH:28][cH:29]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][S:39]([CH3:40])=[O:41].[NH4+:36].[NH4+:37]>>[C:1](#[N:2])[c:3]1[c:4]([NH2:36])[c:5]([F:30])[c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([CH3:27])[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[F:26])[cH:14][c:15]2[CH3:16])[cH:28][cH:29]1

Participants

5

Reactant 4

HCID 223Ammonium2×HCID 679Dimethyl SulfoxideHCID 19660Carbonate IonHCID 592269444-cyano-2,3-difluoro-N-[2,6-dimethyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-phenyl]-benzamide

Product 1

HCID 592269593-amino-4-cyano-N-[2,6-dimethyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-phenyl]-2-fluorobenzamide

Sources & evidence

ORD record
ord-1a26cd8196e7434fb4fb49a716ac59d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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