HRID193735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID81998

Ethynyltributylstannane

C14H30Sn

结构：N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1I

HCID21188126

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=Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C#N

HCID21188094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a83f96bc396f49d6a757b25670b50578
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[n:4][n:5](-[c:9]2[c:10]([Cl:20])[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2[Cl:15])[cH:6][c:7]1[I:8].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH:21](=[CH2:22])[Sn:23]([CH2:24][CH2:25][CH2:26][CH3:27])([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:32][CH2:33][CH2:34][CH3:35].[OH2:36].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[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)[cH:117][cH:118]1>>[C:1](#[N:2])[c:3]1[n:4][n:5](-[c:9]2[c:10]([Cl:20])[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2[Cl:15])[cH:6][c:7]1[CH:21]=[CH2:22]