Sodium ion → 5-(Piperazin-1-yl)isoquinoline
Reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6][cH:7][c:8]2[cH:9][cH:10][cH:11]1.[CH2:12]1[CH2:13][NH:14][CH2:15][CH2:16][NH:17]1.[CH3:64][C:65]([CH3:66])([O-:67])[CH3:68].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[Na+:69].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:77].[Pd:78].[cH:18]1[cH:19][cH:20][c:21]([P:22]([c:23]2[cH:24][cH:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[c:32]2-[c:33]2[c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[cH:40][cH:41][c:42]2[P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]1>>[c:2]1([N:14]2[CH2:13][CH2:12][NH:17][CH2:16][CH2:15]2)[c:3]2[cH:4][cH:5][n:6][cH:7][c:8]2[cH:9][cH:10][cH:11]1Participants
9
Sources & evidence
- ORD record
- ord-35fb2979c960474a9f782703eacc1ed3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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