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Acetate → Tert-butyl 2-(2-pyrimidin-5-ylethynyl)pyrrolidine-1-carboxylate

HRID 113137
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HRID 113137 반응식
[Br:15][c:16]1[cH:17][n:18][cH:19][n:20][cH:21]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13]#[CH:14])[CH2:10][CH2:11][CH2:12]1.[Cu:108][I:109].[O-:100][C:101]([CH3:102])=[O:103].[O-:104][C:105]([CH3:106])=[O:107].[Pd+2:99].[cH:22]1[cH:23][cH:24][c:25]([P:26]([Pd:27]([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[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)[cH:97][cH:98]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13]#[C:14][c:16]2[cH:17][n:18][cH:19][n:20][cH:21]2)[CH2:10][CH2:11][CH2:12]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 175Acetate2회HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 783445-BromopyrimidineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 14730283tert-Butyl 2-ethynylpyrrolidine-1-carboxylateHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 21964110Tert-butyl 2-(2-pyrimidin-5-ylethynyl)pyrrolidine-1-carboxylate

출처 및 근거

ORD 기록
ord-bf3de6d2a34141c1bde91e70994931c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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