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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-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-5,8-dichloro-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-3,4-dihydroisoquinolin-1(2H)-one

HRID 2015922
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HRID 2015922 반응식
[CH3:1][c:2]1[n:7][n:6][n:4]([CH3:5])[cH:3]1.[CH3:8][c:9]1[n:37][c:28]([O:29][CH2:30][c:31]2[cH:36][cH:35][cH:34][cH:33][cH:32]2)[c:13]([CH2:14][N:15]3[C:26](=[O:27])[c:25]([c:18]4[CH2:17][CH2:16]3)[c:23]([Cl:24])[c:22](Br)[cH:21][c:19]4[Cl:20])[c:11]([CH3:12])[cH:10]1>>[CH3:8][c:9]1[n:37][c:28]([O:29][CH2:30][c:31]2[cH:36][cH:35][cH:34][cH:33][cH:32]2)[c:13]([CH2:14][N:15]3[C:26](=[O:27])[c:25]([c:18]4[CH2:17][CH2:16]3)[c:23]([Cl:24])[c:22]([c:3]5[n:4]([CH3:5])[n:6][n:7][c:2]5[CH3:1])[cH:21][c:19]4[Cl:20])[c:11]([CH3:12])[cH:10]1
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참가 물질

7

반응물 2

HCID 152571421,4-Dimethyl-1H-1,2,3-triazoleHCID 867237282-((2-(benzyloxy)-4,6-dimethylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one

생성물 1

HCID 86723731{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-5,8-dichloro-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-23a40b925bba4a30ba8e098187628e79
출처 데이터셋
39k HTE dataset from Pfizer
DOI
10.1038/s41557
원본 링크
출처 보기

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