3-(Piperidin-4-yl)benzonitrile → tert-butyl 4-[[4-[[4-(3-cyanophenyl)piperidine-1-carbonyl]-methylamino]phenyl]methyl]-2-methylpiperazine-1-carboxylate

HRID 2125897Notes

Reaction equation

HRID 2125897 reaction equation
[C:24](#[N:25])[c:26]1[cH:27][c:28]([CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:29][cH:30][cH:31]1.[CH3:1][CH:2]1[CH2:3][N:4]([CH2:5][c:6]2[cH:7][cH:8][c:9]([NH:10][CH3:11])[cH:12][cH:13]2)[CH2:14][CH2:15][N:16]1[C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23].[F:38][c:39]1[cH:40][cH:41][c:42]([CH:43]2[CH2:44][CH2:45][N:46]([C:51](=[O:52])[N:53]([c:54]3[cH:55][cH:56][c:57]([CH2:60][N:61]4[CH2:62][CH:63]([CH3:74])[N:64]([C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[CH2:65][CH2:66]4)[cH:58][cH:59]3)[CH3:75])[CH2:47][CH2:48]2)[cH:49][cH:50]1>>[C:24](#[N:25])[c:26]1[cH:27][c:28]([CH:32]2[CH2:33][CH2:34][N:35]([C:51](=[O:52])[N:53]([c:54]3[cH:55][cH:56][c:57]([CH2:60][N:61]4[CH2:62][CH:63]([CH3:74])[N:64]([C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[CH2:65][CH2:66]4)[cH:58][cH:59]3)[CH3:75])[CH2:36][CH2:37]2)[cH:29][cH:30][cH:31]1

Participants

4

Reactant 3

HCID 214481663-(Piperidin-4-yl)benzonitrileHCID 178430361HCID 178430361, compoundHCID 178482156HCID 178482156, compound

Product 1

HCID 178430357tert-butyl 4-[[4-[[4-(3-cyanophenyl)piperidine-1-carbonyl]-methylamino]phenyl]methyl]-2-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-4cabe9aee6804439b0b6c58081522367
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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