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Sodium Ion → 2-(Methylsulfanyl)-4-[4-(methylsulfanyl)phenyl]-6-(trifluoromethyl)pyrimidine

HRID 119880
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HRID 119880 반응식
[CH3:14][S:15][c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[CH3:31][O:32][CH2:33][CH2:34][O:35][CH3:36].[Cl:1][c:2]1[n:3][c:4]([S:12][CH3:13])[n:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:37]>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([S:15][CH3:14])[cH:21][cH:20]2)[n:3][c:4]([S:12][CH3:13])[n:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1
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반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2480634-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidineHCID 27339594-(Methylthio)phenylboronic acid

생성물 1

HCID 220183142-(Methylsulfanyl)-4-[4-(methylsulfanyl)phenyl]-6-(trifluoromethyl)pyrimidine

출처 및 근거

ORD 기록
ord-229b3d2b303e4ee6948355be6703fb32
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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