Ethanol → Ki-11502
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH2:20])[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:23][CH2:24][OH:25].[CH3:26][c:27]1[c:28]([C:33](=[O:34])[N:35]=[C:36]=[S:37])[cH:29][cH:30][cH:31][cH:32]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][cH:18][c:19]([NH:20][C:36]([NH:35][C:33]([c:28]4[c:27]([CH3:26])[cH:32][cH:31][cH:30][cH:29]4)=[O:34])=[S:37])[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]Participants
5
Sources & evidence
- ORD record
- ord-7a336139214543a8b90064ac41c26ce2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)