Ethanol → HCID 68547913, compound
Reaction equation
[CH3:1][C:2]1=[C:3]([c:10]2[c:11]([CH:12]=[O:13])[cH:14][cH:15][cH:16][cH:17]2)[CH:4]([CH3:9])[C:5]([CH3:8])=[C:6]1[CH3:7].[CH3:26][CH2:27][OH:28].[NH2:18][NH:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:1][C:2]1=[C:3]([c:10]2[c:11]([CH:12]=[N:18][NH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][cH:16][cH:17]2)[CH:4]([CH3:9])[C:5]([CH3:8])=[C:6]1[CH3:7]Participants
4
Sources & evidence
- ORD record
- ord-8c02a06b991f4bc9842644faff6790e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…