Acetate → Methyl 7-(4-propylphenoxy)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate
Reaction equation
[CH2:19]([CH2:20][CH3:21])[c:22]1[cH:23][cH:24][c:25]([O:28][B:29]([OH:30])[OH:31])[cH:26][cH:27]1.[CH3:32][C:33](=[O:34])[O-:35].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:36][CH2:37][Cl:38].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13]>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13])[c:25]1[cH:24][cH:23][c:22]([CH2:19][CH2:20][CH3:21])[cH:27][cH:26]1Participants
6
Sources & evidence
- ORD record
- ord-ae3d7c5ace634afa8e9197bf54e677d1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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