Sodium ion → 1-Benzoxepin-3(2H)-one
Reaction equation
[I+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[Na+:6].[O:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1.[OH2:21].[OH:7][CH2:8][C:9]1([OH:20])[CH2:10][O:11][c:12]2[c:13]([cH:16][cH:17][cH:18][cH:19]2)[CH:14]=[CH:15]1>>[C:9]1(=[O:20])[CH2:10][O:11][c:12]2[c:13]([cH:16][cH:17][cH:18][cH:19]2)[CH:14]=[CH:15]1Participants
6
Sources & evidence
- ORD record
- ord-c763e0d6f7144c609c2db6076ef41f37
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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