Ethanol → HCID 9847749, compound
Reaction equation
[CH3:37][CH2:38][OH:39].[CH3:3][O:4][C:5](=[O:6])[c:7]1[n:8][c:9]([Cl:36])[c:10]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([c:21]3[n:22][c:23]4[cH:24][c:25]([O:34][CH3:35])[c:26]([O:32][CH3:33])[cH:27][c:28]4[c:29]([NH2:31])[n:30]3)[CH2:19][CH2:20]2)[n:11][c:12]1[NH2:13].[K+:2].[OH-:1]>>[O:4]=[C:5]([OH:6])[c:7]1[n:8][c:9]([Cl:36])[c:10]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([c:21]3[n:22][c:23]4[cH:24][c:25]([O:34][CH3:35])[c:26]([O:32][CH3:33])[cH:27][c:28]4[c:29]([NH2:31])[n:30]3)[CH2:19][CH2:20]2)[n:11][c:12]1[NH2:13]Participants
5
Sources & evidence
- ORD record
- ord-b7d86a5c4d694fd5a4c8ebdff5fd6a67
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…