Ethanol → HCID 178431521, compound
Reaction equation
[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]2)[O:40]1.[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[CH3:58][CH2:59][OH:60].[Cl:1][c:2]1[n:3][c:4]([C:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:61]>>[c:2]1(-[c:33]2[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]2)[n:3][c:4]([C:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1Participants
9
Sources & evidence
- ORD record
- ord-c863370e23cd48dbb4310b182559a25b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…