Ethanol → HCID 21424953, compound
Reaction equation
[CH2:1]1[CH2:2][O:3]1.[CH3:25][CH2:26][OH:27].[CH3:4][NH:5][CH2:6][C:7]#[C:8][C:9]1=[CH:10][c:11]2[c:12]([cH:21][cH:22][cH:23][cH:24]2)[S:13][c:14]2[c:15]1[cH:16][c:17]([Cl:20])[cH:18][cH:19]2>>[CH2:1]([CH2:2][N:5]([CH3:4])[CH2:6][C:7]#[C:8][C:9]1=[CH:10][c:11]2[c:12]([cH:21][cH:22][cH:23][cH:24]2)[S:13][c:14]2[c:15]1[cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[OH:3]Participants
4
Sources & evidence
- ORD record
- ord-8550a8167d21447dac9113227969a37e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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