Bicarbonate Ion → HCID 178438953, compound
Reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[c:9]([cH:30][cH:31]1)[O:10][CH:11]([c:14]1[cH:15][c:16]([O:20][CH2:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]1)[CH2:12][O:13]2)[NH:32][CH:33]([CH2:34][CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:42].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[CH3:1][O:2][C:3]([CH:4]1[CH2:5][c:6]2[cH:7][c:8]3[c:9]([cH:30][c:31]2[CH2:44][N:32]1[CH:33]([CH2:34][CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:10][CH:11]([c:14]1[cH:15][c:16]([O:20][CH2:21][c:22]2[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]2)[cH:17][cH:18][cH:19]1)[CH2:12][O:13]3)=[O:42]Participants
6
Sources & evidence
- ORD record
- ord-237373df607d46efa8fb3e3cfd2549e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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