Acetonitrile → 1-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1-(3-carboethoxypropyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine
Reaction equation
[C:44](=[O:45])([O:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][n:52]1[c:53]([NH:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[n:54][c:55]2[c:56]1[cH:57][cH:58][cH:59][cH:60]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:28])[C:9]([CH2:12][CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([CH2:20][c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH2:10][CH2:11]2)[cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:68][C:69]#[N:70].[Cl:71][CH2:72][Cl:73].[IH:43]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:28])[C:9]([CH2:12][CH2:13][CH2:14][N:65]3[CH2:64][CH2:63][CH:62]([NH:61][c:53]4[n:52]([CH2:51][CH2:50][CH2:49][C:44](=[O:45])[O:46][CH2:47][CH3:48])[c:56]5[c:55]([n:54]4)[cH:60][cH:59][cH:58][cH:57]5)[CH2:67][CH2:66]3)([CH2:20][c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH2:10][CH2:11]2)[cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-4e34b1402d7f48b3bf1b70f32ca6ae77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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