tert-Butanol → HCID 12875899, compound
Reaction equation
[C:31]([OH:32])([CH3:33])([CH3:34])[CH3:35].[Cl:19][c:20]1[n:21][cH:22][cH:23][c:24]2[c:25]1[cH:26][c:27]([C:29]#[N:30])[s:28]2.[OH:1][CH2:2][CH:3]([CH2:4][NH:5][CH2:6][CH2:7][c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[OH:18]>>[O:1]([CH2:2][CH:3]([CH2:4][NH:5][CH2:6][CH2:7][c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[OH:18])[c:20]1[n:21][cH:22][cH:23][c:24]2[c:25]1[cH:26][c:27]([C:29]#[N:30])[s:28]2Participants
4
Sources & evidence
- ORD record
- ord-95b44cf838ba466ab041a1ee5475ebfd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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