Ethanol → HCID 9806170, compound
Reaction equation
[CH3:49][CH2:50][OH:51].[Cl:1][c:2]1[c:3]([N:9]2[C:10](=[O:45])[N:11]([c:26]3[cH:27][c:28]([CH2:32][CH2:33][N:34]4[C:35](=[O:36])[c:37]5[cH:38][cH:39][cH:40][cH:41][c:42]5[C:43]4=[O:44])[cH:29][cH:30][cH:31]3)[c:12]3[n:13][c:14]([NH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:15][cH:16][c:17]3[CH2:18]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[NH2:47][NH2:48].[OH2:46]>>[Cl:1][c:2]1[c:3]([N:9]2[C:10](=[O:45])[N:11]([c:26]3[cH:27][c:28]([CH2:32][CH2:33][NH2:34])[cH:29][cH:30][cH:31]3)[c:12]3[n:13][c:14]([NH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:15][cH:16][c:17]3[CH2:18]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-64bf97b16fb242fc887ba1d55e68fe01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)