Bicarbonate Ion → N-(4,5-dimethylisoxazol-3-yl)-4-(tetrahydro-2H-pyran-4-carbonyl)-1,4-diazepane-1-carboxamide
Reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][c:2]1[c:3]([NH2:8])[n:4][o:5][c:6]1[CH3:7].[CH:9]([N:10]([CH2:11][CH3:12])[CH:13]([CH3:14])[CH3:15])([CH3:16])[CH3:17].[Cl:18][C:19]([C:20](=[O:21])[Cl:24])([Cl:22])[Cl:23].[Cl:51][CH2:52][Cl:53].[N:30]1([C:37](=[O:38])[CH:39]2[CH2:40][CH2:41][O:42][CH2:43][CH2:44]2)[CH2:31][CH2:32][NH:33][CH2:34][CH2:35][CH2:36]1.[Na+:29].[Na+:49].[Na+:50].[O-:25][C:26]([OH:27])=[O:28]>>[CH3:1][c:2]1[c:3]([NH:8][C:20](=[O:21])[N:33]2[CH2:32][CH2:31][N:30]([C:37](=[O:38])[CH:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[CH2:36][CH2:35][CH2:34]2)[n:4][o:5][c:6]1[CH3:7]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-dd35f779df624cc598d3025fc98c2e00
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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