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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ethanol → 17-[(2,4-dichlorophenyl)methylsulfanyl]-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione

HRID 2318951
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HRID 2318951 반응식
[CH3:12][S:13]([O:14][CH:17]1[C:18]2([CH3:19])[CH:20]([CH2:21][CH2:22]1)[CH:23]1[CH2:24][CH2:25][C:26]3=[CH:27][C:28](=[O:37])[CH:29]=[CH:30][C:31]3([CH3:32])[CH:33]1[C:34](=[O:36])[CH2:35]2)(=[O:15])=[O:16].[CH3:38][CH2:39][OH:40].[Cl:2][c:3]1[c:4]([CH2:5][SH:6])[cH:7][cH:8][c:9]([Cl:11])[cH:10]1.[Na:1]>>[Cl:2][c:3]1[c:4]([CH2:5][S:6][CH:17]2[C:18]3([CH3:19])[CH:20]([CH2:21][CH2:22]2)[CH:23]2[CH2:24][CH2:25][C:26]4=[CH:27][C:28](=[O:37])[CH:29]=[CH:30][C:31]4([CH3:32])[CH:33]2[C:34](=[O:36])[CH2:35]3)[cH:7][cH:8][c:9]([Cl:11])[cH:10]1
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반응물 4

HCID 702EthanolHCID 957562,4-DichlorobenzenemethanethiolHCID 5360545SodiumHCID 178421350HCID 178421350, 화합물

생성물 1

HCID 17842135317-[(2,4-dichlorophenyl)methylsulfanyl]-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione

출처 및 근거

ORD 기록
ord-8b3d9ae76fa8471ab40afc724e5c9adc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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