1-Propanol → 8-Tert-butyl-1,3,4,5-tetrahydro-2-benzoxepine
Reaction equation
[C:5]([CH3:6])([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][O:18][CH2:19][O:20][CH3:21])[cH:13][cH:14]1.[CH2:1]([OH:2])[CH2:3][CH3:4].[CH3:22][O:23][CH2:24][O:25][CH3:26].[CH3:27][O:28][O:29][CH3:30].[Cl:31][CH2:32][Cl:33]>>[C:5]([CH3:6])([CH3:7])([CH3:8])[c:9]1[cH:10][c:11]2[c:12]([cH:13][cH:14]1)[CH2:15][CH2:16][CH2:17][O:18][CH2:19]2Participants
6
Sources & evidence
- ORD record
- ord-939ddd2a6244470aabf02c0ccb1d8294
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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