Acetic Acid → 7-(2-{1-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethylureido}ethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester
Reaction equation
[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])[N:13]([CH3:14])[CH3:15])[CH2:16][CH:17]=[O:18])[cH:19][cH:20]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH:30]2[CH2:31][NH:32][CH2:33][CH:34]([CH2:35]1)[O:36]2.[C:41]([BH3-:42])#[N:43].[CH3:37][C:38](=[O:39])[OH:40].[Cl:45][CH2:46][Cl:47].[Na+:44].[OH2:48]>>[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])[N:13]([CH3:14])[CH3:15])[CH2:16][CH2:17][N:32]2[CH2:31][CH:30]3[CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:35][CH:34]([CH2:33]2)[O:36]3)[cH:19][cH:20]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-dcc84d940c124478ab8f948e9a756528
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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