HRID1541523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：C=[CH][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC

HCID81998

Ethynyltributylstannane

C14H30Sn

结构：Brc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1

HCID44627685

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：C=Cc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1

HCID59588015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d1675b482384859ba69130983f81a7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[n:3][n:4](-[c:7]2[cH:8][cH:9][c:10]([NH:13][c:14]3[n:15][cH:16][cH:17][c:18](-[c:20]4[cH:21][c:22]([N:26]5[CH2:27][CH2:28][O:29][CH2:30][CH2:31]5)[cH:23][cH:24][cH:25]4)[n:19]3)[cH:11][cH:12]2)[cH:5][n:6]1.[CH2:32]([CH2:33][CH2:45][CH3:46])[Sn:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH:43]=[CH2:44].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[O:131]=[CH:132][N:133]([CH3:134])[CH3:135].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1([CH:32]=[CH2:33])[n:3][n:4](-[c:7]2[cH:8][cH:9][c:10]([NH:13][c:14]3[n:15][cH:16][cH:17][c:18](-[c:20]4[cH:21][c:22]([N:26]5[CH2:27][CH2:28][O:29][CH2:30][CH2:31]5)[cH:23][cH:24][cH:25]4)[n:19]3)[cH:11][cH:12]2)[cH:5][n:6]1