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Acetone → 2-{3-[2,6-Dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propyl}-2-(4-fluoro-phenyl)-[1,3]dioxolane

HRID 316853
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반응식

HRID 316853 반응식
[C:32](=[O:33])([O-:34])[O-:35].[CH3:40][C:41](=[O:42])[CH3:43].[Cl:17][c:18]1[c:19]([OH:31])[c:20]([Cl:30])[cH:21][c:22]([O:24][CH2:25][CH:26]=[C:27]([Cl:28])[Cl:29])[cH:23]1.[Cl:1][CH2:2][CH2:3][CH2:4][C:5]1([c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[O:6][CH2:7][CH2:8][O:9]1.[I-:39].[K+:36].[K+:37].[K+:38]>>[CH2:2]([CH2:3][CH2:4][C:5]1([c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[O:6][CH2:7][CH2:8][O:9]1)[O:31][c:19]1[c:18]([Cl:17])[cH:23][c:22]([O:24][CH2:25][CH:26]=[C:27]([Cl:28])[Cl:29])[cH:21][c:20]1[Cl:30]
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7

반응물 6

HCID 180AcetoneHCID 813Potassium Cation3회HCID 19660Carbonate IonHCID 30165Iodide IonHCID 27237782-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolaneHCID 113467384-(3,3-Dichloro-2-propenyloxy)-2,6-dichlorophenol

생성물 1

HCID 86613087
2-{3-[2,6-Dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propyl}-2-(4-fluoro-phenyl)-[1,3]dioxolane

출처 및 근거

ORD 기록
ord-c49ca44ac73546beb17dd08d555b3ed3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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