2-Butyne-1,4-diol → HCID 178450875, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[C:9]([CH3:24])([CH3:25])[S:10][CH2:11][CH2:12][N:13]1[S:14](=[O:15])(=[O:16])[c:17]1[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]1.[CH2:26]([C:27]#[C:28][CH2:29][OH:30])[OH:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[C:9]([CH3:24])([CH3:25])[S:10][CH2:11][CH2:12][N:13]1[S:14](=[O:15])(=[O:16])[c:17]1[cH:18][cH:19][c:20]([O:23][CH2:26][C:27]#[C:28][CH2:29][OH:30])[cH:21][cH:22]1Participants
3
Sources & evidence
- ORD record
- ord-a97e46c49bf946d5bacbca4d3e45c52d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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