Ethanol → HCID 448658, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([C:14]([NH:15][CH2:16][c:17]2[s:18][c:19]3[c:20]([n:21]2)[c:22]([F:28])[c:23]([F:27])[cH:24][c:25]3[F:26])=[O:29])[cH:9][cH:10][c:11]([F:13])[cH:12]1)=[O:30].[CH3:33][CH2:34][OH:35].[Na+:32].[OH-:31]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([C:14]([NH:15][CH2:16][c:17]2[s:18][c:19]3[c:20]([n:21]2)[c:22]([F:28])[c:23]([F:27])[cH:24][c:25]3[F:26])=[O:29])[cH:9][cH:10][c:11]([F:13])[cH:12]1)[OH:30]Participants
5
Sources & evidence
- ORD record
- ord-b12d90deab344fa4a25bb112235a870f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…