Bicarbonate Ion → 6-{4-[2-(Benzyl-phenethyl-amino)-ethyl]-phenoxy}-nicotinamide
Reaction equation
[Br:32][CH2:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[C:1](=[O:2])([OH:3])[O-:4].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([O:20][c:21]2[n:22][cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29]2)[cH:30][cH:31]1.[Na+:5].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[N:13]([CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([O:20][c:21]2[n:22][cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29]2)[cH:30][cH:31]1)[CH2:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1Participants
7
Sources & evidence
- ORD record
- ord-73fb5712e4094fdebbdee1e49a7e37c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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