Acetonitrile → 5-(Azetidin-1-ylsulfonyl)-2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1)[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[Cl:24])[cH:20]2.[CH2:25]1[CH2:26][NH:27][CH2:28]1.[CH3:29][N:30]([c:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1)[CH3:37].[CH3:38][C:39]#[N:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1)[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[N:27]1[CH2:26][CH2:25][CH2:28]1)[cH:20]2Participants
5
Sources & evidence
- ORD record
- ord-cff2794ab05740cd85ca3081b6500c47
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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