Sodium ion → 1-(2-Chloro-4-fluorophenyl)piperazine
Reaction equation
[Br:1][c:2]1[c:3]([Cl:9])[cH:4][c:5]([F:8])[cH:6][cH:7]1.[CH2:10]1[CH2:11][NH:12][CH2:13][CH2:14][NH:15]1.[CH3:16][C:17]([CH3:18])([O-:19])[CH3:20].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Na+:21].[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:75].[Pd:76].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[c:2]1([N:12]2[CH2:11][CH2:10][NH:15][CH2:14][CH2:13]2)[c:3]([Cl:9])[cH:4][c:5]([F:8])[cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-e60c116ce4b949c7873e113a8fd2358f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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