Sodium ion → (3RS)-1-[(2-azatricyclo[4.3.1.14,8]undec-2-yl)carbonylmethyl]-3-tert-butoxycarbonylamino-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one
Reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][CH:11]1[C:12](=[O:29])[NH:13][c:14]2[c:15]([cH:25][cH:26][cH:27][cH:28]2)[C:16]([c:18]2[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]2)=[N:17]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:32][CH2:33][C:34](=[O:35])[N:36]1[CH:37]2[CH2:38][CH:39]3[CH2:40][CH:41]([CH2:42][CH:43]([CH2:44]1)[CH2:45]3)[CH2:46]2.[H-:1].[I-:31].[Na+:2].[Na+:30]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][CH:11]1[C:12](=[O:29])[N:13]([CH2:33][C:34](=[O:35])[N:36]2[CH:37]3[CH2:38][CH:39]4[CH2:40][CH:41]([CH2:42][CH:43]([CH2:44]2)[CH2:45]4)[CH2:46]3)[c:14]2[c:15]([cH:25][cH:26][cH:27][cH:28]2)[C:16]([c:18]2[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]2)=[N:17]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-7ade3834769b4af58272c305bd58cc44
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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