Methanol → 1-(3-Methylene-2,3-dihydro-1-benzoxepin-7-yl)ethanone
Reaction equation
[C:20]([CH3:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([O:31][CH2:32][C:33](=[CH2:34])[CH2:35][I:29])[c:27]([CH:28]=[O:36])[cH:30]1.[CH3:37][O-:38].[CH3:41][C:42]#[N:43].[CH3:44][OH:45].[Na+:39].[OH2:40].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[C:20]([CH3:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]2[c:27]([cH:30]1)[CH:28]=[CH:35][C:33](=[CH2:34])[CH2:32][O:31]2Participants
8
Sources & evidence
- ORD record
- ord-6b269d4c65924e27a6a186c33684ceb9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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