Ethanol → HCID 57967263, compound
Reaction equation
[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:58][CH2:59][OH:60].[CH3:61][CH2:62][O:63][CH2:64][CH3:65].[F:38][c:39]1[cH:40][cH:41][c:42]([CH2:45][C:46](=[O:47])[N:48]=[C:49]=[S:50])[cH:43][cH:44]1.[NH2:1][c:2]1[cH:3][c:4]([F:37])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[cH:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:31][CH2:32][O:33][CH3:34])[cH:20][n:21]2)[s:15]3)[cH:35][cH:36]1>>[NH:1]([c:2]1[cH:3][c:4]([F:37])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[cH:13][c:14](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:31][CH2:32][O:33][CH3:34])[cH:20][n:21]2)[s:15]3)[cH:35][cH:36]1)[C:49]([NH:48][C:46]([CH2:45][c:42]1[cH:41][cH:40][c:39]([F:38])[cH:44][cH:43]1)=[O:47])=[S:50]Participants
6
Sources & evidence
- ORD record
- ord-2dab5fb03d5545f68a3b594b74c3e7a9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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