Bicarbonate Ion → 3-(1-benzyl-1H-pyrazol-4-yl)-2-chloropyridine
Reaction equation
[C:24](=[O:25])([OH:26])[O-:27].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][cH:10][c:11]([I:13])[cH:12]1.[CH2:29]([CH2:30][O:31][CH3:32])[O:33][CH3:34].[Cl:14][c:15]1[n:16][cH:17][cH:18][cH:19][c:20]1[B:21]([OH:22])[OH:23].[Na+:28].[OH2:35].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][cH:10][c:11](-[c:20]2[c:15]([Cl:14])[n:16][cH:17][cH:18][cH:19]2)[cH:12]1Participants
8
Sources & evidence
- ORD record
- ord-a344999a7636439bb5061f6923986721
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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