Ethanol → 2-(methylthio)-4-(1H-pyrazol-4-yl)pyrimidine
Reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH3:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[CH3:10][C:11]1([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16][B:17]([c:18]2[cH:19][n:20][nH:21][cH:22]2)[O:23]1.[CH3:114][CH2:115][OH:116].[Cl:1][c:2]1[n:3][c:4]([S:8][CH3:9])[n:5][cH:6][cH:7]1.[Na+:28].[Na+:29].[OH2:117].[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([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)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[cH:105][cH:106]1>>[c:2]1(-[c:18]2[cH:19][n:20][nH:21][cH:22]2)[n:3][c:4]([S:8][CH3:9])[n:5][cH:6][cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-8d0b6a4f368a4032b1d8c599855e6941
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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