Bromide ion → 7-(2-{1-[2-(4-Cyanophenoxy)ethyl]ureido}ethyl)-9-oxa-3,7-diazabicyclo-[3.3.1]nonane-3-carboxylic acid tert-butyl ester
Reaction equation
[Br-:52].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[NH2:13])[CH2:14][CH2:15][O:16][S:17]([c:18]2[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]2)(=[O:25])=[O:26])[cH:27][cH:28]1.[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[N:36]1[CH2:37][CH:38]2[CH2:39][NH:40][CH2:41][CH:42]([CH2:43]1)[O:44]2.[CH3:53][C:54]#[N:55].[K+:45].[K+:46].[Li+:51].[O-:47][C:48]([O-:49])=[O:50]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[NH2:13])[CH2:14][CH2:15][N:40]2[CH2:39][CH:38]3[CH2:37][N:36]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:43][CH:42]([CH2:41]2)[O:44]3)[cH:27][cH:28]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-3a5c22a1262147aa8161b0b21a51a69e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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