Acetonitrile → 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dichlorophenyl)piperidine
Reaction equation
[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].[CH3:69][C:70]#[N:71].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[F:36][c:37]1[cH:38][cH:39][c:40]([CH2:41][n:42]2[c:43]([NH:51][CH:52]3[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]3)[n:44][c:45]3[c:46]2[cH:47][cH:48][cH:49][cH:50]3)[cH:58][cH:59]1>>[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:55]3[CH2:54][CH2:53][CH:52]([NH:51][c:43]4[n:42]([CH2:41][c:40]5[cH:39][cH:38][c:37]([F:36])[cH:59][cH:58]5)[c:46]5[c:45]([n:44]4)[cH:50][cH:49][cH:48][cH:47]5)[CH2:57][CH2:56]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-82a253d8733e46d78529c437525e1149
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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