Tetrahydrofuran → 6-(4-Cyano-2-methylsulfonylphenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid

HRID 1133230Notes

Reaction equation

[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:33](=[O:34])(=[O:35])[CH3:36])[c:6]([CH:9]2[NH:10][C:11](=[O:32])[N:12]([c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]3)[C:13]([CH3:21])=[C:14]2[C:15](=[O:16])[O:17][CH2:18][CH:19]=[CH2:20])[cH:7][cH:8]1.[CH2:37]1[NH:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([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)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[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)[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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:33](=[O:34])(=[O:35])[CH3:36])[c:6]([CH:9]2[NH:10][C:11](=[O:32])[N:12]([c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]3)[C:13]([CH3:21])=[C:14]2[C:15](=[O:16])[OH:17])[cH:7][cH:8]1

Participants

Reactant 4

HCID 8028Tetrahydrofuran

HCID 8083Morpholine

HCID 42642358Allyl(rac)-4-[4-cyano-2-(methylsulfonyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

HCID 178420554HCID 178420554, compound

Product 1

HCID 666018476-(4-Cyano-2-methylsulfonylphenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid

Sources & evidence

ORD record: ord-d116ddcf4409429fb233990cf1c3f232
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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