Ethanol → HCID 19427671, compound
Reaction equation
[CH3:25][CH2:26][OH:27].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH:1]1([N:4]2[c:5]3[c:6]([c:16]([CH3:20])[cH:17][cH:18][n:19]3)[NH:7][C:8](=[S:15])[c:9]3[c:10]2[n:11][cH:12][cH:13][cH:14]3)[CH2:2][CH2:3]1.[H-:21].[I:23][CH3:24].[Na+:22]>>[CH:1]1([N:4]2[c:5]3[c:6]([c:16]([CH3:20])[cH:17][cH:18][n:19]3)[N:7]=[C:8]([S:15][CH3:25])[c:9]3[c:10]2[n:11][cH:12][cH:13][cH:14]3)[CH2:2][CH2:3]1Participants
7
Sources & evidence
- ORD record
- ord-2ed6866b0a14475cbef21bd8d91dda98
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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