HRID1212250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

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

HCID81998

Ethynyltributylstannane

C14H30Sn

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

结构：CC(C)(C)OC(=O)N1CC2C=C(c3cncc(Br)c3)CC2C1

HCID178451464

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cncc(C2=CC3CN(C(=O)OC(C)(C)C)CC3C2)c1

HCID178437122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f476c9d5ce54402bb1fa6ee151505eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:16][c:17]1[cH:18][c:19]([C:23]2=[CH:37][CH:26]3[CH:25]([CH2:24]2)[CH2:29][N:28]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:27]3)[cH:20][n:21][cH:22]1.[CH2:1]([CH2:2][CH2:14][CH3:15])[Sn:3]([CH2:4][CH2:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH3:11])[CH:12]=[CH2:13].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([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)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[CH:1](=[CH2:2])[c:17]1[cH:18][c:19]([C:23]2=[CH:37][CH:26]3[CH:25]([CH2:24]2)[CH2:29][N:28]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:27]3)[cH:20][n:21][cH:22]1