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1-Butanol → 1-[4-[2-[4-[Bis(4-fluorophenyl)methyl]-1-piperidinyl]ethoxy]-3-methoxyphenyl]ethanone

HRID 115370
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HRID 115370 반응식
[C:37](=[O:38])([O-:39])[O-:40].[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[CH:50]([Cl:51])([Cl:52])[Cl:53].[Cl:22][CH2:23][CH2:24][O:25][c:26]1[c:27]([O:35][CH3:36])[cH:28][c:29]([C:32]([CH3:33])=[O:34])[cH:30][cH:31]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1.[I-:44].[K+:41].[K+:42].[K+:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]2[CH2:10][CH2:11][N:12]([CH2:23][CH2:24][O:25][c:26]3[c:27]([O:35][CH3:36])[cH:28][c:29]([C:32]([CH3:33])=[O:34])[cH:30][cH:31]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 2631-ButanolHCID 813Potassium Cation3회HCID 6212ChloroformHCID 19660Carbonate IonHCID 30165Iodide IonHCID 132505444-[Bis(4-fluorophenyl)methyl]piperidineHCID 144071701-[4-(2-Chloroethoxy)-3-methoxyphenyl]ethanone

생성물 1

HCID 144071251-[4-[2-[4-[Bis(4-fluorophenyl)methyl]-1-piperidinyl]ethoxy]-3-methoxyphenyl]ethanone

출처 및 근거

ORD 기록
ord-56b967537bd34a0dbd63467f9ac0d0e4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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