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Bicarbonate Ion → 11-fluoro-3-hydroxy-13-methyl-7-[5-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidin-1-yl]pentyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

HRID 810776
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인쇄 미리보기

반응식

HRID 810776 반응식
[C:47](=[O:48])([OH:49])[O-:50].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]1[CH:8]2[CH:9]3[CH2:10][CH2:11][C:12](=[O:27])[C:13]3([CH3:14])[CH2:15][CH:16]([F:26])[CH:17]2[c:18]2[cH:19][cH:20][c:21]([OH:25])[cH:22][c:23]2[CH2:24]1.[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([S:36][CH2:37][CH:38]2[NH:39][CH2:40][CH2:41][CH2:42]2)[cH:34][cH:35]1)([F:43])[F:44].[I-:45].[Li+:46].[Na+:51]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH:7]1[CH:8]2[CH:9]3[CH2:10][CH2:11][C:12](=[O:27])[C:13]3([CH3:14])[CH2:15][CH:16]([F:26])[CH:17]2[c:18]2[cH:19][cH:20][c:21]([OH:25])[cH:22][c:23]2[CH2:24]1)[N:39]1[CH:38]([CH2:37][S:36][c:33]2[cH:32][cH:31][c:30]([C:29]([F:28])([F:43])[F:44])[cH:35][cH:34]2)[CH2:42][CH2:41][CH2:40]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 28486Lithium ionHCID 30165Iodide IonHCID 226711452-[[4-(Trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidineHCID 234971177-(5-chloropentyl)-11-fluoro-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

생성물 1

HCID 17842144911-fluoro-3-hydroxy-13-methyl-7-[5-[2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidin-1-yl]pentyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

출처 및 근거

ORD 기록
ord-edfc50dcf5ff4549b79e37a3f3248a09
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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