Acetic Acid → 6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

HRID 103676

Reaction equation

HRID 103676 reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[Cl:45][Cu:46].[ClH:39].[N:32]([O-:33])=[O:34].[NH2:1][c:2]1[n:3][n:4]2[c:5]([n:31]1)[N:6]([c:21]1[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]1)[C:7]([CH3:20])=[C:8]([C:18]#[N:19])[CH:9]2[c:10]1[cH:11][cH:12][c:13]([C:16]#[N:17])[cH:14][cH:15]1.[Na+:35].[O:36]=[S:37]=[O:38].[OH2:44]>>[c:2]1([S:37](=[O:36])(=[O:38])[Cl:39])[n:3][n:4]2[c:5]([n:31]1)[N:6]([c:21]1[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]1)[C:7]([CH3:20])=[C:8]([C:18]#[N:19])[CH:9]2[c:10]1[cH:11][cH:12][c:13]([C:16]#[N:17])[cH:14][cH:15]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1119Sulfur DioxideHCID 62652Cuprous chlorideHCID 712318442-amino-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Product 1

HCID 909533436-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

Sources & evidence

ORD record
ord-c7225f16b9e841c4aa905a8c2d355cb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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