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

HRID 687072Notes

Reaction equation

HRID 687072 reaction equation
[CH3:46][C:47]#[N:48].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[c:8]([C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[cH:9][cH:10][c:11]([F:13])[cH:12]2)[cH:20][c:21]([Cl:23])[cH:22]1.[N:24]1([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[c:8]([C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[cH:9][cH:10][c:11]([N:27]3[CH2:26][CH2:25][N:24]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:29][CH2:28]3)[cH:12]2)[cH:20][c:21]([Cl:23])[cH:22]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 587073441-(2-(3,5-Dichlorobenzylamino)-4-fluorophenyl)-2,2,2-trifluoroethanone

Product 1

HCID 58707280t-Butyl 4-(3-(3,5-dichlorobenzylamino)-4-(2,2,2-trifluoroacetyl)phenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-e8e91379eb96465a8ab5296ca18df40b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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