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Pentane → Ethyl 4-[[4-(4-ethylphenyl)-2,2-dimethyl-(2h)-thiochromen-6-yl]ethynyl]-benzoate

HRID 182914
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HRID 182914 반응식
[C:10]([Li:11])([CH3:12])([CH3:13])[CH3:14].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([Br:9])[cH:7][cH:8]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:15][C:16]1([CH3:47])[S:17][c:18]2[cH:19][cH:20][c:21]([C:34]#[C:35][c:36]3[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:45][cH:46]3)[cH:22][c:23]2[C:24]([O:26][S:27]([C:28]([F:29])([F:30])[F:31])(=[O:32])=[O:33])=[CH:25]1.[CH3:53][CH2:54][CH2:55][CH2:56][CH3:57].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([C:24]2=[CH:25][C:16]([CH3:15])([CH3:47])[S:17][c:18]3[cH:19][cH:20][c:21]([C:34]#[C:35][c:36]4[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:45][cH:46]4)[cH:22][c:23]32)[cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 8003PentaneHCID 8028TetrahydrofuranHCID 153131-Bromo-4-ethylbenzeneHCID 10051511ethyl 4-(2,2-dimethyl-4-trifluoromethanesulfonyloxy-(2H)-thio-chromen-6-ylethynyl)-benzoateHCID 178418306HCID 178418306, 화합물HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 21957874Ethyl 4-[[4-(4-ethylphenyl)-2,2-dimethyl-(2h)-thiochromen-6-yl]ethynyl]-benzoate

출처 및 근거

ORD 기록
ord-a6896551292146e0acefaca919accd88
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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