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Diethyl Ether → N-[1-[3-(hydroxymethyl)-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide

HRID 142715
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HRID 142715 반응식
[Al+3:43].[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[CH3:6][S:7](=[O:8])(=[O:9])[NH:10][c:11]1[c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][c:19]([CH:22]([CH3:23])[NH:24][C:25](=[O:26])[CH:27]2[C:28]([c:30]3[cH:31][cH:32][c:33]([S:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]3)([CH3:41])[CH2:29]2)[cH:20][cH:21]1.[H-:42].[H-:45].[H-:46].[H-:47].[Li+:44]>>[CH3:6][S:7](=[O:8])(=[O:9])[NH:10][c:11]1[c:12]([CH2:13][OH:14])[cH:18][c:19]([CH:22]([CH3:23])[NH:24][C:25](=[O:26])[CH:27]2[C:28]([c:30]3[cH:31][cH:32][c:33]([S:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]3)([CH3:41])[CH2:29]2)[cH:20][cH:21]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4회HCID 178468916HCID 178468916, 화합물

생성물 1

HCID 67047922
N-[1-[3-(hydroxymethyl)-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide

출처 및 근거

ORD 기록
ord-686a9824cbd344a289839cbfc9eb2c76
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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