Ammonium → 1-t-butoxycarbonyl-4-(1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl)[1,4]diazepane
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][c:17]3[c:18]([nH:19]2)[cH:20][cH:21][cH:22][cH:23]3)[CH2:12][CH2:13][CH2:14]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl-:34].[H-:24].[I:26][CH2:27][CH2:28][CH2:29][C:30]([F:31])([F:32])[F:33].[NH4+:35].[Na+:25].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16]([CH2:27][CH2:28][CH2:29][C:30]([F:31])([F:32])[F:33])[c:17]3[c:18]([n:19]2)[cH:20][cH:21][cH:22][cH:23]3)[CH2:12][CH2:13][CH2:14]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-872fc58c3f5d47f096c14e45a67eab4f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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