Bicarbonate Ion → Methyl 3-({[6-amino-3,5-dicyano-4-(tetrahydro-2H-pyran-2-yl)pyridin-2-yl]thio}methyl)benzoate
Reaction equation
[C:1](=[O:2])([OH:3])[O-:4].[CH3:24][O:25][C:26]([c:27]1[cH:28][c:29]([CH2:33][Br:34])[cH:30][cH:31][cH:32]1)=[O:35].[NH2:6][c:7]1[n:8][c:9]([SH:23])[c:10]([C:21]#[N:22])[c:11]([CH:15]2[O:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:12]1[C:13]#[N:14].[Na+:5].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[NH2:6][c:7]1[n:8][c:9]([S:23][CH2:33][c:29]2[cH:28][c:27]([C:26]([O:25][CH3:24])=[O:35])[cH:32][cH:31][cH:30]2)[c:10]([C:21]#[N:22])[c:11]([CH:15]2[O:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:12]1[C:13]#[N:14]Participants
6
Sources & evidence
- ORD record
- ord-b8c272b5c4d44315bc8a24f8adc0bfb3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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