Toluene → 1-(2-{4-[5-(2-Ethylphenylthio)thiophen-2-yl]pyrimidin-2-ylamino}ethyl)-5,5-dimethylimidazolidine-2,4-dione
Reaction equation
[C:41]([OH:42])([CH3:43])([CH3:44])[CH3:45].[CH2:25]([CH3:26])[c:27]1[c:28]([SH:33])[cH:29][cH:30][cH:31][cH:32]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[I:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][CH2:14][CH2:15][N:16]3[C:17](=[O:24])[NH:18][C:19](=[O:23])[C:20]3([CH3:21])[CH3:22])[n:10][cH:11][cH:12]2)[s:6]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[c:2]1([S:33][c:28]2[c:27]([CH2:25][CH3:26])[cH:32][cH:31][cH:30][cH:29]2)[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][CH2:14][CH2:15][N:16]3[C:17](=[O:24])[NH:18][C:19](=[O:23])[C:20]3([CH3:21])[CH3:22])[n:10][cH:11][cH:12]2)[s:6]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-97d2695b66ac41a39e3249e0a8039ba0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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