Ethanol → HCID 54566149, compound
Reaction equation
[CH2:29]=[CH:30][C:31]#[N:32].[CH3:26][CH2:27][O-:28].[CH3:33][CH2:34][OH:35].[NH2:1][c:2]1[c:3]([S:22](=[O:23])[CH3:24])[c:4]([CH:19]=[N:20][OH:21])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[Na+:25]>>[NH2:1][c:2]1[c:3]([S:22](=[O:23])[CH3:24])[c:4]([CH:19]=[N:20][O:21][CH2:29][CH2:30][C:31]#[N:32])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]Participants
6
Sources & evidence
- ORD record
- ord-784ed6f6bb3b4d6ea4d86cb63fb26c2a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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