Sodium ion → 1-{3-[4-(N-acetyl-N-(3-methyl-2-butenyl)-amino)-2-methoxyphenoxy]-n-propyl}-4-phenyl-piperazine
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]([O:27][CH3:28])[c:8]([O:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][N:16]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:17][CH2:18]2)[cH:25][cH:26]1.[CH3:31][C:32](=[CH:33][CH2:34][Br:35])[CH3:36].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[H-:29].[Na+:30]>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[cH:6][c:7]([O:27][CH3:28])[c:8]([O:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][N:16]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:17][CH2:18]2)[cH:25][cH:26]1)[CH2:34][CH:33]=[C:32]([CH3:31])[CH3:36]Participants
6
Sources & evidence
- ORD record
- ord-57d6cee0fbf6448785883b70eb341cc6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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