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

HRID 675962Notes

Reaction equation

HRID 675962 reaction equation
[CH3:44][C:45]#[N:46].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:19](=[O:20])[O-:21])[c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]2)[cH:7]1.[N:22]1([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1>>[c:2]1([N:25]2[CH2:24][CH2:23][N:22]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:27][CH2:26]2)[cH:3][cH:4][c:5]([N+:19](=[O:20])[O-:21])[c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][c:13]([CH3:18])[cH:14][c:15]([CH3:17])[cH:16]2)[cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 587073365-fluoro-N-(1-(3,5-dimethylphenyl)ethyl)-2-nitrobenzenamine

Product 1

HCID 58707281t-Butyl 4-(3-(1-(3,5-dimethylphenyl)ethylamino)-4-nitrophenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-b560721c753648dcbaec894973cc66b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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