Water → 1-[2-(1,4-Benzodioxan-2-yl)-2-acetoxyethyl]-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine
Reaction equation
[CH3:32][C:33](=[O:34])[O:35][C:36](=[O:37])[CH3:38].[O:1]1[CH:2]([CH:11]([CH2:12][N:13]2[CH2:14][CH2:15][N:16]([CH2:19][C:20](=[O:21])[NH:22][c:23]3[c:24]([CH3:30])[cH:25][cH:26][cH:27][c:28]3[CH3:29])[CH2:17][CH2:18]2)[OH:31])[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[OH2:39].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[O:1]1[CH:2]([CH:11]([CH2:12][N:13]2[CH2:14][CH2:15][N:16]([CH2:19][C:20](=[O:21])[NH:22][c:23]3[c:24]([CH3:30])[cH:25][cH:26][cH:27][c:28]3[CH3:29])[CH2:17][CH2:18]2)[O:31][C:33]([CH3:32])=[O:34])[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2Participants
5
Sources & evidence
- ORD record
- ord-1abb438d25c54690a41f4fe8824ca40b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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