Acetonitrile → t-Butyl 4-(3-(1-(3-chlorophenyl)ethylamino)-4-nitrophenyl)piperazine-1-carboxylate

HRID 1214210Notes

Reaction equation

HRID 1214210 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:1][c:2]1[cH:3][c:4]([CH:8]([CH3:9])[NH:10][c:11]2[c:12]([N+:18](=[O:19])[O-:20])[cH:13][cH:14][c:15]([F:17])[cH:16]2)[cH:5][cH:6][cH:7]1.[N:21]1([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH3:9])[NH:10][c:11]2[c:12]([N+:18](=[O:19])[O-:20])[cH:13][cH:14][c:15]([N:24]3[CH2:23][CH2:22][N:21]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:26][CH2:25]3)[cH:16]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 58707308N-(1-(3-Chlorophenyl)ethyl)-5-fluoro-2-nitrobenzenamine

Product 1

HCID 58707320t-Butyl 4-(3-(1-(3-chlorophenyl)ethylamino)-4-nitrophenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-9483012fbf61405d9c409eafc28eac4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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