Water → 3-acetoxy-3-(N-acetylisopropylaminomethyl)-7-carbethoxyamino-3,4-dihydro-2H-1,5-benzodioxepin
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([CH2:17][N:18]([C:19]([CH3:20])=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:6][O:7][c:8]2[c:9]([cH:12][cH:13][c:14]([NH2:16])[cH:15]2)[O:10][CH2:11]1.[CH:37]([Cl:38])([Cl:39])[Cl:40].[Cl:25][C:26](=[O:27])[O:28][CH2:29][CH3:30].[OH2:41].[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([CH2:17][N:18]([C:19]([CH3:20])=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:6][O:7][c:8]2[c:9]([cH:12][cH:13][c:14]([NH:16][C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:15]2)[O:10][CH2:11]1Participants
6
Sources & evidence
- ORD record
- ord-791d97891d894b98ae4728e7114217c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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