Bicarbonate Ion → HCID 59507038, compound
Reaction equation
[C:38](=[O:39])([O-:40])[OH:41].[CH3:43][N:44]([CH3:45])[C:46](=[O:47])[CH3:48].[Cl:33][CH2:34][C:35](=[O:36])[Cl:37].[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+:42]>>[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:35]([CH2:34][Cl:33])=[O:36]Participants
6
Sources & evidence
- ORD record
- ord-2833e830837b4ebb86c308ba0fdd472f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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