Ethanol → HCID 22632393, compound
Reaction equation
[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10](=[O:39])[N:11]([CH2:25][c:26]3[cH:27][cH:28][c:29]([C:32](=[O:33])[N:34]4[CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:30][cH:31]3)[c:12]3[c:13]([cH:15][cH:16][c:17]([CH2:19][CH2:20][C:21](=[O:22])[O:23][CH3:24])[cH:18]3)[CH2:14]2)[cH:40][cH:41]1.[Na+:43].[OH-:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10](=[O:39])[N:11]([CH2:25][c:26]3[cH:27][cH:28][c:29]([C:32](=[O:33])[N:34]4[CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:30][cH:31]3)[c:12]3[c:13]([cH:15][cH:16][c:17]([CH2:19][CH2:20][C:21](=[O:22])[OH:23])[cH:18]3)[CH2:14]2)[cH:40][cH:41]1Participants
5
Sources & evidence
- ORD record
- ord-612a5bc1a3fe440caafb7c8c6c04f4b5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)