Ethanol → N-[2-amino-6-(4-ethoxyphenyl)-4-pyrimidinyl]-N-[3-fluoro-4-(4-pyridinylsulfanyl)phenyl]amine
Reaction equation
[CH2:30]([CH3:31])[O:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][OH:51].[NH2:1][c:2]1[n:3][c:4]([Cl:23])[cH:5][c:6]([NH:8][c:9]2[cH:10][c:11]([F:22])[c:12]([S:15][c:16]3[cH:17][cH:18][n:19][cH:20][cH:21]3)[cH:13][cH:14]2)[n:7]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[Pd:52].[c:110]1([P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125][cH:126][cH:127][cH:128]1.[c:53]1([P:54]([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)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([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)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([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][cH:107][cH:108][cH:109]1>>[NH2:1][c:2]1[n:3][c:4](-[c:36]2[cH:35][cH:34][c:33]([O:32][CH2:30][CH3:31])[cH:38][cH:37]2)[cH:5][c:6]([NH:8][c:9]2[cH:10][c:11]([F:22])[c:12]([S:15][c:16]3[cH:17][cH:18][n:19][cH:20][cH:21]3)[cH:13][cH:14]2)[n:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-8a5b0d3bc80142a19d49f2ec57121cee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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