Chloride → HCID 59568420, compound
Reaction equation
[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[Cl-:52].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:24])[c:12]2[CH2:13][NH:14][c:15]2[cH:16][c:17]([C:21](=[O:22])[OH:23])[n:18]([CH3:20])[n:19]2)[cH:6][cH:7]1.[Na+:51].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:25].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1.[OH:45][C:46]([CH2:47][NH2:48])([CH3:49])[CH3:50]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:24])[c:12]2[CH2:13][NH:14][c:15]2[cH:16][c:17]([C:21](=[O:23])[NH:48][CH2:47][C:46]([OH:45])([CH3:49])[CH3:50])[n:18]([CH3:20])[n:19]2)[cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-fef12b14f37a49a79643864d1accaee5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…