Ethanol → HCID 18423422, compound
Reaction equation
[CH3:50][CH2:51][OH:52].[Cl:1][c:2]1[c:3]([CH2:4][N:5]2[CH2:6][CH:7]([CH2:15][N:16]3[CH2:17][CH2:18][CH:19]([CH2:22][O:23][CH2:24][CH2:25][CH2:26][N:27]4[C:28](=[O:29])[c:30]5[cH:31][cH:32][cH:33][cH:34][c:35]5[C:36]4=[O:37])[CH2:20][CH2:21]3)[CH:8]([c:10]3[cH:11][s:12][cH:13][cH:14]3)[CH2:9]2)[cH:38][cH:39][c:40]([Cl:42])[cH:41]1.[NH2:43][NH2:44].[S:45](=[O:46])(=[O:47])([OH:48])[OH:49]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]2[CH2:6][CH:7]([CH2:15][N:16]3[CH2:17][CH2:18][CH:19]([CH2:22][O:23][CH2:24][CH2:25][CH2:26][NH2:27])[CH2:20][CH2:21]3)[CH:8]([c:10]3[cH:11][s:12][cH:13][cH:14]3)[CH2:9]2)[cH:38][cH:39][c:40]([Cl:42])[cH:41]1Participants
5
Sources & evidence
- ORD record
- ord-8018f6240d874a9bb6172ae143fe3ab9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…