Toluene → 2-Chloro-3-(2-methyl-6-(methylthio)pyrimidin-4-yl)quinoxaline
Reaction equation
[CH3:1][c:2]1[n:3][c:4]([Sn:10]([CH2:11][CH2:12][CH2:13][CH3:14])([CH2:15][CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH2:21][CH3:22])[cH:5][c:6]([S:8][CH3:9])[n:7]1.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:23][c:24]1[n:25][c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][c:33]1[Cl:34].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([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)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[CH3:1][c:2]1[n:3][c:4](-[c:33]2[c:24]([Cl:23])[n:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[n:32]2)[cH:5][c:6]([S:8][CH3:9])[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-2e985e0199ea4edb9ca4fbcb43a3fbfa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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