Bicarbonate Ion → 4-(Tetrahydro-pyran-4-carbonyl)-[1,4]diazepane-1-carboxylic acid (5-sec-butyl-pyridin-2-yl)-amide
Reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[CH:1]([CH3:2])([CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH2:11])[n:9][cH:10]1.[Cl:21][C:22]([C:23](=[O:24])[Cl:27])([Cl:25])[Cl:26].[Cl:54][CH2:55][Cl:56].[N:33]1([C:40](=[O:41])[CH:42]2[CH2:43][CH2:44][O:45][CH2:46][CH2:47]2)[CH2:34][CH2:35][NH:36][CH2:37][CH2:38][CH2:39]1.[Na+:32].[Na+:52].[Na+:53].[O-:28][C:29]([OH:30])=[O:31]>>[CH:1]([CH3:2])([CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:23](=[O:24])[N:36]2[CH2:35][CH2:34][N:33]([C:40](=[O:41])[CH:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[CH2:39][CH2:38][CH2:37]2)[n:9][cH:10]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-82c3499981654cc09d444bdc49a35c66
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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