Bicarbonate Ion → HCID 178488499, compound
Reaction equation
[C:49](=[O:50])([OH:51])[O-:52].[CH2:54]([Cl:55])[Cl:56].[CH3:1][N:2]([C:3](=[O:4])[Cl:5])[CH3:6].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:7][O:8][c:9]1[cH:10][c:11]([CH:21]=[C:22]2[CH2:23][CH2:24][CH:25]3[N:26]([CH:27]([c:31]4[cH:32][c:33]([F:39])[c:34]([F:38])[c:35]([F:37])[cH:36]4)[CH2:28][NH:29][CH2:30]3)[C:40]2=[O:41])[cH:12][cH:13][c:14]1-[n:15]1[cH:16][n:17][c:18]([CH3:20])[cH:19]1.[Na+:53].[OH2:48]>>[CH3:1][N:2]([C:3](=[O:4])[N:29]1[CH2:28][CH:27]([c:31]2[cH:32][c:33]([F:39])[c:34]([F:38])[c:35]([F:37])[cH:36]2)[N:26]2[CH:25]([CH2:24][CH2:23][C:22](=[CH:21][c:11]3[cH:10][c:9]([O:8][CH3:7])[c:14](-[n:15]4[cH:16][n:17][c:18]([CH3:20])[cH:19]4)[cH:13][cH:12]3)[C:40]2=[O:41])[CH2:30]1)[CH3:6]Participants
8
Sources & evidence
- ORD record
- ord-d4a9d86c6c3b4c9a9e0a00da28afc843
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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