Acetic Acid → 7-(2-Hydroxypropan-2-yl)-7-isocyano-2,2-dimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
Reaction equation
[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH3:19][C:20]([CH3:21])=[O:22].[CH3:1][C:2]1([CH3:13])[N:3]2[C:4](=[O:12])[CH:5]([N+:10]#[C-:11])[CH:6]2[CH2:7][CH2:8][O:9]1.[CH3:23][C:24](=[O:25])[OH:26].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[CH3:1][C:2]1([CH3:13])[N:3]2[C:4](=[O:12])[C:5]([N+:10]#[C-:11])([C:20]([CH3:19])([CH3:21])[OH:22])[CH:6]2[CH2:7][CH2:8][O:9]1Participants
7
Sources & evidence
- ORD record
- ord-0f9dd57621c042df979608fe6eb24cac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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