Dimethyl Sulfoxide → HCID 11837562, compound
Reaction equation
[CH3:51][S:52](=[O:53])[CH3:54].[CH:1]1([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][Cl:13])[cH:10][cH:11]2)[CH2:2][CH2:3]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:14][C:15]([c:16]1[cH:17][cH:18][c:19]([C:22]([CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)([OH:29])[c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:20][cH:21]1)([F:40])[F:41]>>[CH:1]1([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([CH2:12][N:26]3[CH2:25][CH2:24][CH:23]([C:22]([c:19]4[cH:18][cH:17][c:16]([C:15]([F:14])([F:40])[F:41])[cH:21][cH:20]4)([OH:29])[c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[CH2:28][CH2:27]3)[cH:10][cH:11]2)[CH2:2][CH2:3]1Participants
5
Sources & evidence
- ORD record
- ord-6044c13873e24a3195673874ae853d71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…