Sodium ion → 1-(4-Chloro-3-isopropoxy-phenyl)-piperazine
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:9][CH:10]([CH3:11])[CH3:12])[c:5]([Cl:8])[cH:6][cH:7]1.[C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])(=[O:19])[N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:26][C:27]([CH3:28])([O-:29])[CH3:30].[Na+:31].[O:34]=[C:35]([CH:36]=[CH:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Pd:32].[Pd:33]>>[c:2]1([N:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[cH:3][c:4]([O:9][CH:10]([CH3:11])[CH3:12])[c:5]([Cl:8])[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-8695e4a9242d4db9834dbbeeca6b62a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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