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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 2016013
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HRID 2016013 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
참가 물질반응 조건출처 및 근거반응 노트

참가 물질

7

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 4

HCID 583616Cesium pivalate시약
HCID 168430665
Bis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium);bis(2,3-dihydronaphthalene-1,4-dione)
촉매
HCID 31374Dimethylacetamide용매
HCID 117669-Phenylanthracene내부 표준

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온도
90 °C

출처 및 근거

ORD 기록
ord-b661b9b1f7f244fe8d7d1cfa672dc926
출처 데이터셋
39k HTE dataset from Pfizer
DOI
10.1038/s41557
원본 링크
출처 보기

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