Water → t-Butyl 4-(4-cyano-3-trifluoromethylphenyl)-3-methylpiperazine-1-carboxylate

HRID 198214

Reaction equation

HRID 198214 reaction equation
[CH3:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][NH:7]1.[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[F:15][c:16]1[cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[c:19]([C:20]#[N:21])[cH:22][cH:23]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:42]>>[CH3:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][N:7]1[c:16]1[cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[c:19]([C:20]#[N:21])[cH:22][cH:23]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 6050854-Fluoro-2-(trifluoromethyl)benzonitrileHCID 2756810tert-Butyl 3-methylpiperazine-1-carboxylate

Product 1

HCID 18753316t-Butyl 4-(4-cyano-3-trifluoromethylphenyl)-3-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-bd04cfb42112441ebfa670fdebd3d257
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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