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Propargyl alcohol → 3-(4-Tert-butylphenyl)prop-2-yn-1-ol

HRID 94218
노트
인쇄 미리보기

반응식

HRID 94218 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:6][cH:7]1.[CH2:23]([C:24]#[CH:25])[OH:26].[Cu:32][I:33].[N:12]12[CH2:13][CH2:14][CH2:15][N:16]=[C:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2.[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1>>[c:2]1([C:25]#[C:24][CH2:23][OH:26])[cH:3][cH:4][c:5]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 7859Propargyl alcoholHCID 8028TetrahydrofuranHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 775951-Bromo-4-tert-butylbenzeneHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 15478440
3-(4-Tert-butylphenyl)prop-2-yn-1-ol

출처 및 근거

ORD 기록
ord-b225ea5b12734ba99b2fad5a0f9d67f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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