Ethanol → HCID 57677338, compound
Reaction equation
[CH3:40][CH2:41][O:42][CH2:43][CH3:44].[CH3:45][CH2:46][OH:47].[NH2:1][c:2]1[cH:3][c:4]([F:27])[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]([CH3:22])[CH2:20][CH2:21]3)[CH3:23])=[O:24])[n:10][cH:11][n:12]2)[cH:25][cH:26]1.[c:28]1([CH2:34][C:35](=[O:36])[N:37]=[C:38]=[S:39])[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[NH:1]([c:2]1[cH:3][c:4]([F:27])[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]([CH3:22])[CH2:20][CH2:21]3)[CH3:23])=[O:24])[n:10][cH:11][n:12]2)[cH:25][cH:26]1)[C:38]([NH:37][C:35]([CH2:34][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:36])=[S:39]Participants
5
Sources & evidence
- ORD record
- ord-e7d8a7ad820443f3a148d65275d65919
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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