Ethanol → HCID 57378077, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[n:22]3[n:23][n:24][c:25]([C:28]#[CH:29])[c:26]3[CH3:27])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:9][cH:10]1.[CH3:35][CH2:36][OH:37].[nH:30]1[cH:31][cH:32][n:33][n:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[n:22]3[n:23][n:24][c:25]([CH2:28][CH3:29])[c:26]3[CH3:27])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-9438169314b74196bb21104aac586108
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…