Acetonitrile → 1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-(3-chlorophenyl)pyrrolidine
Reaction equation
[CH2:35]([CH3:36])[O:37][CH2:38][CH2:39][n:40]1[c:41]([N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54][CH2:55]2)[n:42][c:43]2[c:44]1[cH:45][cH:46][cH:47][cH:48]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][c:22]([Cl:26])[cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:27][c:28]([O:32][CH3:33])[c:29]1[O:30][CH3:31].[CH3:65][C:66]#[N:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[IH:34]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:52]3[CH2:51][CH2:50][N:49]([c:41]4[n:40]([CH2:39][CH2:38][O:37][CH2:35][CH3:36])[c:44]5[c:43]([n:42]4)[cH:48][cH:47][cH:46][cH:45]5)[CH2:55][CH2:54][CH2:53]3)([c:20]3[cH:21][c:22]([Cl:26])[cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:27][c:28]([O:32][CH3:33])[c:29]1[O:30][CH3:31]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-81d907585c7240b7b9c54eaf1c6dbd70
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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