Bicarbonate Ion → HCID 74020503, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][c:10]([CH:17]=[C:18]2[CH2:19][N:20]([CH:25]([C:26](=[O:27])[CH:28]3[CH2:29][CH2:30]3)[c:31]3[c:32]([F:37])[cH:33][cH:34][cH:35][cH:36]3)[CH2:21][CH2:22][CH:23]2[OH:24])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12.[C:38]([CH3:39])(=[S:40])[OH:41].[CH2:42]([O:43][CH:44]([O:45][CH2:46][C:47]([CH3:48])([CH3:49])[CH3:50])[N:51]([CH3:52])[CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Na+:58].[OH:59][C:60](=[O:61])[O-:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][c:10]([CH:17]=[C:18]2[CH2:19][N:20]([CH:25]([C:26](=[O:27])[CH:28]3[CH2:29][CH2:30]3)[c:31]3[c:32]([F:37])[cH:33][cH:34][cH:35][cH:36]3)[CH2:21][CH2:22][CH:23]2[S:40][C:38]([CH3:39])=[O:41])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12Participants
7
Sources & evidence
- ORD record
- ord-a97b4002354d459aa15a209289d4932d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…