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Ethanol → 4-(4-Cyanophenyl)-6-methyl-2-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-5-pyrimidinecarboxylic acid

HRID 115592
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반응식

HRID 115592 반응식
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]=[C:11]([S:30][CH3:31])[N:12]([c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[C:13]([CH3:19])=[C:14]2[C:15](=[O:16])[O:17][CH3:18])[cH:7][cH:8]1.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][OH:41].[K+:33].[OH-:32].[OH2:42].[OH2:43]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]=[C:11]([S:30][CH3:31])[N:12]([c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[C:13]([CH3:19])=[C:14]2[C:15](=[O:16])[OH:17])[cH:7][cH:8]1
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반응물 6

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 57762469Methyl 4-(4-cyanophenyl)-6-methyl-2-(methylsulfanyl)-1-[3-(trifluoromethyl)-phenyl]-1,4-dihydro-5-pyrimidinecarboxylate

생성물 1

HCID 57762428
4-(4-Cyanophenyl)-6-methyl-2-(methylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-5-pyrimidinecarboxylic acid

출처 및 근거

ORD 기록
ord-b19327542f6b4d0c9d789fbe14baecd2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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