Sodium ion → 1-(t-butoxycarbonyl)-4-(1-allyl-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.[CH2:26]([CH:27]=[CH2:28])[Br:29].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[Cl:35][CH2:36][Cl:37].[H-:24].[Na+:25]>>[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]([CH2:28][CH:27]=[CH2:26])[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
Sources & evidence
- ORD record
- ord-bc17fbd66d414631bd5b863674919751
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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