Acetonitrile → t-Butyl 4-(3-(1-(3,5-dimethoxyphenyl)ethylamino)-4-nitrophenyl)piperazine-1-carboxylate

HRID 291495Notes

Reaction equation

HRID 291495 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].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:21](=[O:22])[O-:23])[c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][c:13]([O:19][CH3:20])[cH:14][c:15]([O:17][CH3:18])[cH:16]2)[cH:7]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>>[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:29][CH2:28]2)[cH:3][cH:4][c:5]([N+:21](=[O:22])[O-:23])[c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][c:13]([O:19][CH3:20])[cH:14][c:15]([O:17][CH3:18])[cH:16]2)[cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 587073375-Fluoro-N-(1-(3,5-dimethoxyphenyl)ethyl)-2-nitrobenzenamine

Product 1

HCID 58707341t-Butyl 4-(3-(1-(3,5-dimethoxyphenyl)ethylamino)-4-nitrophenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-0f1f3e2364634ed3b21e8d37171fa20c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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