Bicarbonate Ion → HCID 178436750, compound
Reaction equation
[C:49](=[O:50])([O-:51])[OH:52].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:43][CH2:44][CH2:45][N:46]=[C:47]=[O:48].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([NH:19][CH:20]3[CH2:21][CH:22]([CH2:32][CH3:33])[NH:23][c:24]4[cH:25][cH:26][c:27]([O:30][CH3:31])[n:28][c:29]43)[n:10][cH:11][c:12]2[N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42].[Na+:53]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]([NH:19][CH:20]3[CH2:21][CH:22]([CH2:32][CH3:33])[N:23]([C:47]([NH:46][CH2:45][CH2:44][Cl:43])=[O:48])[c:24]4[cH:25][cH:26][c:27]([O:30][CH3:31])[n:28][c:29]43)[n:10][cH:11][c:12]2[N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42]Participants
6
Sources & evidence
- ORD record
- ord-487c346a5e6040ffaa8dc3a029e216fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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