Bicarbonate Ion → HCID 59506974, compound
Reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH3:33][C:34]([Cl:35])=[O:36].[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([N:11]([c:12]3[cH:13][c:14]([NH:18][C:19]([c:20]4[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]4)=[O:31])[cH:15][cH:16][cH:17]3)[CH3:32])[n:7][cH:8][c:9]2[n:10]1.[Na+:41].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([N:11]([c:12]3[cH:13][c:14]([NH:18][C:19]([c:20]4[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]4)=[O:31])[cH:15][cH:16][cH:17]3)[CH3:32])[n:7][cH:8][c:9]2[n:10]1)[C:34]([CH3:33])=[O:36]Participants
6
Sources & evidence
- ORD record
- ord-88189a95ff2d46d3a7328309c0c760f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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