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Potassium Cation → 6-(4-fluorobenzylthio)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)pyrimidin-4(3H)-one

HRID 684649
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HRID 684649 반응식
[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[Cl:1][c:2]1[cH:3][c:4](=[O:22])[n:5](-[c:8]2[cH:9][c:10]([O:20][CH3:21])[c:11]([O:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])[cH:12][cH:13]2)[cH:6][n:7]1.[Cl:43][CH2:44][Cl:45].[F:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][SH:31])[cH:28][cH:29]1.[K+:36].[K+:37]>>[c:2]1([S:31][CH2:30][c:27]2[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]2)[cH:3][c:4](=[O:22])[n:5](-[c:8]2[cH:9][c:10]([O:20][CH3:21])[c:11]([O:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])[cH:12][cH:13]2)[cH:6][n:7]1
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참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 85171p-Fluorotoluene-alpha-thiolHCID 585799166-chloro-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-pyrimidin-4(3H)-one

생성물 1

HCID 46927431
6-(4-fluorobenzylthio)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)pyrimidin-4(3H)-one

출처 및 근거

ORD 기록
ord-3bbec6202e1e42728033e3ab3f46a6ff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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