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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1,4-Dimethyl-1H-1,2,3-triazole → 2-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-5-bromo-8-chloro-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-3,4-dihydroisoquinolin-1(2H)-one

HRID 2016000
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HRID 2016000 반응식
[CH3:1][c:2]1[n:30][c:21]([O:22][CH2:23][c:24]2[cH:29][cH:28][cH:27][cH:26][cH:25]2)[c:6]([CH2:7][N:8]3[C:19](=[O:20])[c:18]([c:11]4[CH2:10][CH2:9]3)[c:16]([Cl:17])[c:15](I)[cH:14][c:12]4[Br:13])[c:4]([CH3:5])[cH:3]1.[CH3:31][c:32]1[n:37][n:36][n:34]([CH3:35])[cH:33]1>>[CH3:1][c:2]1[n:30][c:21]([O:22][CH2:23][c:24]2[cH:29][cH:28][cH:27][cH:26][cH:25]2)[c:6]([CH2:7][N:8]3[C:19](=[O:20])[c:18]([c:11]4[CH2:10][CH2:9]3)[c:16]([Cl:17])[c:15]([c:33]5[n:34]([CH3:35])[n:36][n:37][c:32]5[CH3:31])[cH:14][c:12]4[Br:13])[c:4]([CH3:5])[cH:3]1
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참가 물질

8

반응물 2

HCID 152571421,4-Dimethyl-1H-1,2,3-triazoleHCID 1185719922-((2-(benzyloxy)-4,6-dimethylpyridin-3-yl)methyl)-5-bromo-8-chloro-7-iodo-3,4-dihydroisoquinolin-1(2H)-one

생성물 1

HCID 867238312-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-5-bromo-8-chloro-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-3,4-dihydroisoquinolin-1(2H)-one

시약·촉매·용매 5

HCID 583616Cesium pivalate시약
HCID 167845
palladium(II) acetate
촉매
HCID 167479081-(Dicyclohexylphosphanyl)-2-(2-methoxyphenyl)-1H-indole촉매
HCID 31374Dimethylacetamide용매
HCID 117669-Phenylanthracene내부 표준

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온도
90 °C

출처 및 근거

ORD 기록
ord-3617de3d5dff460abc7cfa7db88142fb
출처 데이터셋
39k HTE dataset from Pfizer
DOI
10.1038/s41557
원본 링크
출처 보기

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