Ethanol → HCID 21913806, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH2:14][CH2:15][CH2:16][n:17]2[c:18]([CH2:31][CH2:32][CH3:33])[n:19][c:20]3[c:21]4[n:22]([c:23]([CH3:27])[c:24]([CH3:26])[c:25]23)[n:28][n:29][n:30]4)[cH:9][cH:10]1)=[O:34].[CH3:37][CH2:38][OH:39].[Na+:36].[OH-:35]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH2:14][CH2:15][CH2:16][n:17]2[c:18]([CH2:31][CH2:32][CH3:33])[n:19][c:20]3[c:21]4[n:22]([c:23]([CH3:27])[c:24]([CH3:26])[c:25]23)[n:28][n:29][n:30]4)[cH:9][cH:10]1)[OH:34]Participants
5
Sources & evidence
- ORD record
- ord-55aab74a3c2c45f0807e4bdca47a4129
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)