Ethanol → HCID 22228131, compound
Reaction equation
[CH2:1]([CH3:2])[CH:3]([N:4]([c:5]1[cH:6][c:7]([C:17]#[N:18])[c:8]([O:11][CH2:12][C:13]([CH3:14])([CH3:15])[CH3:16])[cH:9][cH:10]1)[C:19](=[O:20])[c:21]1[c:22]([CH3:37])[n:23][n:24](-[c:26]2[c:27]([Cl:36])[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[cH:25]1)[C:38](=[O:39])[OH:40].[CH3:43][CH2:44][OH:45].[Na+:42].[OH-:41]>>[CH2:3]([N:4]([c:5]1[cH:6][c:7]([C:17]#[N:18])[c:8]([O:11][CH2:12][C:13]([CH3:14])([CH3:15])[CH3:16])[cH:9][cH:10]1)[C:19](=[O:20])[c:21]1[c:22]([CH3:37])[n:23][n:24](-[c:26]2[c:27]([Cl:36])[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[cH:25]1)[C:38](=[O:39])[OH:40]Participants
5
Sources & evidence
- ORD record
- ord-c889db100900407e832814682492e037
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…