Ethanol → HCID 21935708, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:35])[cH:11][c:12]([O:15][CH2:16][c:17]2[c:18]([CH3:34])[n:19][c:20](-[c:23]3[cH:24][c:25]([F:33])[c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[cH:21][cH:22]2)[cH:13][cH:14]1)=[O:36].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[Na+:38].[OH-:37]>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:35])[cH:11][c:12]([O:15][CH2:16][c:17]2[c:18]([CH3:34])[n:19][c:20](-[c:23]3[cH:24][c:25]([F:33])[c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[cH:21][cH:22]2)[cH:13][cH:14]1)[OH:36]Participants
6
Sources & evidence
- ORD record
- ord-9f4a2d4180684ae7a8ab640664b65cc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…