Ethanol → HCID 44223224, compound
Reaction equation
[CH3:48][CH2:49][OH:50].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:17][CH2:18][C:19](=[O:20])[c:21]1[cH:22][nH:23][c:24]2[n:25][cH:26][c:27]([NH:30][C:31]([c:32]3[c:33]([F:46])[c:34]([NH:39][S:40](=[O:41])(=[O:42])[CH2:43][CH2:44][CH3:45])[cH:35][cH:36][c:37]3[F:38])=[O:47])[cH:28][c:29]12.[F:10][CH:11]1[CH2:12][NH:13][CH2:14][CH2:15][CH2:16]1>>[F:10][CH:11]1[CH2:12][N:13]([CH2:18][C:19](=[O:20])[c:21]2[cH:22][nH:23][c:24]3[n:25][cH:26][c:27]([NH:30][C:31]([c:32]4[c:33]([F:46])[c:34]([NH:39][S:40](=[O:41])(=[O:42])[CH2:43][CH2:44][CH3:45])[cH:35][cH:36][c:37]4[F:38])=[O:47])[cH:28][c:29]23)[CH2:14][CH2:15][CH2:16]1Participants
5
Sources & evidence
- ORD record
- ord-389e6a05bf10450e9775876cf4d7a9ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
- DOI