Acetonitrile → 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dichlorophenyl)piperidine
Reaction equation
[CH2:36]([CH3:37])[O:38][CH2:39][CH2:40][n:41]1[c:42]([NH:50][CH:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)[n:43][c:44]2[c:45]1[cH:46][cH:47][cH:48][cH:49]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:14][CH2:15][O:16][S:17]([CH3:18])(=[O:19])=[O:20])([c:21]3[cH:22][c:23]([Cl:28])[c:24]([Cl:27])[cH:25][cH:26]3)[CH2:11][CH2:12][CH2:13]2)[cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33].[CH3:66][C:67]#[N:68].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:14][CH2:15][N:54]3[CH2:53][CH2:52][CH:51]([NH:50][c:42]4[n:41]([CH2:40][CH2:39][O:38][CH2:36][CH3:37])[c:45]5[c:44]([n:43]4)[cH:49][cH:48][cH:47][cH:46]5)[CH2:56][CH2:55]3)([c:21]3[cH:22][c:23]([Cl:28])[c:24]([Cl:27])[cH:25][cH:26]3)[CH2:11][CH2:12][CH2:13]2)[cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-95ed5c3cd7294fe294b871621a22c86c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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