Acetonitrile → t-Butyl 4-(5-(3,5-dichlorobenzylamino)-2-nitrophenyl)piperazine-1-carboxylate

HRID 118633

Reaction equation

HRID 118633 reaction equation
[CH3:43][C:44]#[N:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:24][c:25]1[cH:26][c:27]([CH2:28][NH2:29])[cH:30][c:31]([Cl:33])[cH:32]1.[F:1][c:2]1[cH:3][cH:4][c:5]([N+:21](=[O:22])[O-:23])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:7]1>>[c:2]1([NH:29][CH2:28][c:27]2[cH:26][c:25]([Cl:24])[cH:32][c:31]([Cl:33])[cH:30]2)[cH:3][cH:4][c:5]([N+:21](=[O:22])[O-:23])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 457602Benzenemethanamine, 3,5-dichloro-HCID 22272537tert-Butyl 4-(5-Fluoro-2-nitrophenyl)piperazine-1-carboxylate

Product 1

HCID 58707297t-Butyl 4-(5-(3,5-dichlorobenzylamino)-2-nitrophenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-cd364092c1ad42a5b4362e94420b43d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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