Bicarbonate Ion → HCID 53942506, compound
Reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[Cl:31][CH:32]=[CH:33][C:34](=[O:35])[Cl:36].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([NH:14][c:15]3[cH:16][c:17]([Br:21])[cH:18][cH:19][cH:20]3)[c:6]([C:12]#[N:13])[cH:7][n:8][c:9]2[cH:10][cH:11]1.[Na+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([NH:14][c:15]3[cH:16][c:17]([Br:21])[cH:18][cH:19][cH:20]3)[c:6]([C:12]#[N:13])[cH:7][n:8][c:9]2[cH:10][cH:11]1)[C:34]([CH:33]=[CH:32][Cl:31])=[O:35]Participants
7
Sources & evidence
- ORD record
- ord-4a5cc683e4944e588c1a954f5de945b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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