Ethanol → HCID 57677738, 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].[CH3:59][CH2:60][O:61][CH2:62][CH3:63].[CH3:64][CH2:65][OH:66].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]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.[c:47]1([CH2:53][C:54](=[O:55])[N:56]=[C:57]=[S:58])[cH:48][cH:49][cH:50][cH:51][cH:52]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:57]([NH:56][C:54]([CH2:53][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)=[O:55])=[S:58]Participants
7
Sources & evidence
- ORD record
- ord-f10a0c82a3bf46cea400e7073da45f5c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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