Ethanol → HCID 23153522, compound
Reaction equation
[C:32]12([CH2:33][S:34]([OH:35])(=[O:36])=[O:37])[C:38]([CH3:39])([CH3:40])[CH:41]([CH2:42][CH2:43]1)[CH2:44][C:45]2=[O:46].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[CH3:65][CH2:66][OH:67].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:75][CH2:76][CH2:77][CH2:78][CH2:79][CH3:80].[F:47][c:48]1[cH:49][cH:50][c:51]([CH2:54][C:55](=[O:56])[N:57]=[C:58]=[S:59])[cH:52][cH:53]1.[NH2:1][c:2]1[cH:3][c:4]([F:31])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14]([N:15]([CH:16]3[CH2:17][CH2:18][N:19]([CH:22]4[CH2:23][N:24]([CH3:26])[CH2:25]4)[CH2:20][CH2:21]3)[CH3:27])=[O:28])[n:10][cH:11][n:12]2)[cH:29][cH:30]1>>[NH:1]([c:2]1[cH:3][c:4]([F:31])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14]([N:15]([CH:16]3[CH2:17][CH2:18][N:19]([CH:22]4[CH2:23][N:24]([CH3:26])[CH2:25]4)[CH2:20][CH2:21]3)[CH3:27])=[O:28])[n:10][cH:11][n:12]2)[cH:29][cH:30]1)[C:58]([NH:57][C:55]([CH2:54][c:51]1[cH:50][cH:49][c:48]([F:47])[cH:53][cH:52]1)=[O:56])=[S:59]Participants
8
Sources & evidence
- ORD record
- ord-67b814bf5cc744139e06c8988e924fb5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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