1,2-Dichloroethane → N-[2,6-dibromo-4-(1,2,2,3,3,3-hexafluoro-1-trifluoromethylpropyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

HRID 165562Notes

Reaction equation

HRID 165562 reaction equation
[Br:1][c:2]1[c:3]([NH2:22])[c:4]([Br:21])[cH:5][c:6]([C:8]([C:9]([C:10]([F:11])([F:12])[F:13])([F:14])[F:15])([C:16]([F:17])([F:18])[F:19])[F:20])[cH:7]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:47][CH2:48][CH2:49][Cl:50].[N+:30](=[O:31])([O-:32])[c:33]1[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40][c:41]1-[n:42]1[n:43][cH:44][n:45][cH:46]1>>[Br:1][c:2]1[c:3]([NH:22][C:36]([c:35]2[cH:34][c:33]([N+:30](=[O:31])[O-:32])[c:41](-[n:42]3[n:43][cH:44][n:45][cH:46]3)[cH:40][cH:39]2)=[O:37])[c:4]([Br:21])[cH:5][c:6]([C:8]([C:9]([C:10]([F:11])([F:12])[F:13])([F:14])[F:15])([C:16]([F:17])([F:18])[F:19])[F:20])[cH:7]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 8471TriethylamineHCID 20600963-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acidHCID 582974122,6-Dibromo-4-(perfluorobutan-2-yl)aniline

Product 1

HCID 46944258N-[2,6-dibromo-4-(1,2,2,3,3,3-hexafluoro-1-trifluoromethylpropyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Sources & evidence

ORD record
ord-ec65b2b70de545a3b792e6c2f13144cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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