Water → 5-Amino-3-cyano-4-(cyclohept-2-enyl)-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole

HRID 213028

Reaction equation

HRID 213028 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH:22]1=[CH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[I-:29].[NH2:1][c:2]1[c:3]([I:21])[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:42]>>[NH2:1][c:2]1[c:3]([CH:28]2[CH:22]=[CH:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[c:4]([C:19]#[N:20])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 12363CyclohepteneHCID 30165Iodide IonHCID 154620775-Amino-3-cyano-4-iodo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole

Product 1

HCID 98665095-Amino-3-cyano-4-(cyclohept-2-enyl)-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole

Sources & evidence

ORD record
ord-f8144072d1a842919c8778f5b5e85503
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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