Sodium ion → 1-(3-Bromophenyl)-4-methylpiperazine
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([Br:7])[cH:8]1.[CH2:62]1[CH2:63][CH2:64][C:65]2=[N:70][CH2:69][CH2:68][CH2:67][N:66]2[CH2:71][CH2:72]1.[CH2:79]1[NH:80][CH2:81][CH2:82][NH:83][CH2:84]1.[CH3:73][C:74]([CH3:75])([O-:76])[CH3:77].[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[CH3:9][N:10]1[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]1.[Na+:78].[cH:16]1[cH:17][cH:18][c:19]([P:20]([c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:26][cH:27][cH:28][cH:29]3)[c:30]2-[c:31]2[c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[cH:38][cH:39][c:40]2[P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61]1>>[c:2]1([N:13]2[CH2:12][CH2:11][N:10]([CH3:9])[CH2:15][CH2:14]2)[cH:3][cH:4][cH:5][c:6]([Br:7])[cH:8]1Participants
9
Sources & evidence
- ORD record
- ord-bccb294ca5cb4298b1af9bb91ba9c95d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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