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Acetonitrile → 2-Methyl-2-{2-methyl-4-[2-methyl-6-(3-trifluoromethyl-phenyl)-pyridin-3-ylmethoxy]-phenoxy}-propionic acid ethyl ester

HRID 298000
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반응식

HRID 298000 반응식
[C:37](=[O:38])([O-:39])[O-:40].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([OH:15])[cH:13][cH:14]1)=[O:17].[CH3:43][C:44]#[N:45].[Cl:18][CH2:19][c:20]1[c:21]([CH3:36])[n:22][c:23](-[c:26]2[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]2)[cH:24][cH:25]1.[Cs+:41].[Cs+:42]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([O:15][CH2:19][c:20]2[c:21]([CH3:36])[n:22][c:23](-[c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)[cH:24][cH:25]2)[cH:13][cH:14]1)=[O:17]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 16756990Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoateHCID 219357693-Chloromethyl-2-methyl-6-(3-trifluoromethyl-phenyl)-pyridine

생성물 1

HCID 67072170
2-Methyl-2-{2-methyl-4-[2-methyl-6-(3-trifluoromethyl-phenyl)-pyridin-3-ylmethoxy]-phenoxy}-propionic acid ethyl ester

출처 및 근거

ORD 기록
ord-82716b632771467f8de29ed3eda9751e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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