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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ammonium → 2-(3-Cyclohexyl-5-fluoro-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

HRID 171815
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반응식

HRID 171815 반응식
[Br-:26].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([Br:23])[cH:19][c:20]([F:22])[cH:21]1)[C:10]([CH3:24])([CH3:25])[CH2:9]2.[CH:27]1([Zn+:33])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[Cl-:39].[NH4+:40].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[cH:19][c:20]([F:22])[cH:21]1)[C:10]([CH3:24])([CH3:25])[CH2:9]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 674437712-(3-Bromo-5-fluoro-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
HCID 178528064
HCID 178528064, 화합물

생성물 1

HCID 674417422-(3-Cyclohexyl-5-fluoro-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-5c8b06a80aa445f1806412a07f7fde93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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