Sodium ion → 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.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[H-:29].[I:31][CH2:32][CH2:33][CH2:34][C:35]([F:36])([F:37])[F:38].[Na+:30].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]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]([CH2:32][CH2:33][CH2:34][C:35]([F:36])([F:37])[F:38])[c:17]3[c:18]([n:19]2)[cH:20][cH:21][cH:22][cH:23]3)[CH2:12][CH2:13][CH2:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-393ddd76e11a4c6dafe1db5c27ee21dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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