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Sodium Ion → tert-butyl 1-(5-cyano-3-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate

HRID 178530
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HRID 178530 반응식
[Br:62][c:63]1[cH:64][n:65][cH:66][c:67]([C:69]#[N:70])[cH:68]1.[CH3:71][C:72]([CH3:73])([O-:74])[CH3:75].[NH:1]1[CH:2]2[CH:3]([CH2:4][CH2:5]1)[CH2:6][N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]2.[Na+:76].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:77].[Pd:78].[cH:16]1[cH:17][cH:18][c:19]([P:20]([c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:26][cH:27][cH:28][cH:29]3)[c:30]2-[c:31]2[c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[cH:38][cH:39][c:40]2[P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[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)[cH:60][cH:61]1>>[N:1]1([c:63]2[cH:64][n:65][cH:66][c:67]([C:69]#[N:70])[cH:68]2)[CH:2]2[CH:3]([CH2:4][CH2:5]1)[CH2:6][N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 634876Binap, (A+-)-HCID 7367935-BromonicotinonitrileHCID 45749132-Methylpropan-2-olateHCID 225622051,1-Dimethylethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

생성물 1

HCID 178451501tert-butyl 1-(5-cyano-3-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate

출처 및 근거

ORD 기록
ord-a1dd546c4c9c42468a77165cabc45f15
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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