1-Butanol → 1-[1-(4-chlorophenylmethyl)-1H-benzimidazol-2-yl]-5-[2-[4-(2-methoxycarbonyl-2-methylpropyl)phenyl]ethyl]-1,5-diazacyclooctane
Reaction equation
[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH2:7][c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[cH:15][cH:16][cH:17][cH:18]2.[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[CH3:19][O:20][C:21](=[O:22])[C:23]([CH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:31][CH2:32][N:33]2[CH2:34][CH2:35][CH2:36][NH:37][CH2:38][CH2:39][CH2:40]2)[cH:29][cH:30]1)([CH3:41])[CH3:42]>>[c:2]1([N:37]2[CH2:36][CH2:35][CH2:34][N:33]([CH2:32][CH2:31][c:28]3[cH:27][cH:26][c:25]([CH2:24][C:23]([C:21]([O:20][CH3:19])=[O:22])([CH3:41])[CH3:42])[cH:30][cH:29]3)[CH2:40][CH2:39][CH2:38]2)[n:3][c:4]2[c:5]([n:6]1[CH2:7][c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[cH:15][cH:16][cH:17][cH:18]2Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-9cb41154e4a54b0484a41e93daa043ef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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