HRID1202885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1031

1-Propanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68480394

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

HCID178514179

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(F)c(Cl)c(Oc2c(Cl)ccc(CN)c2F)c1

HCID68487220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12d7a43f987a44b2915fdbda86f43aa0
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:1][c:2]1[cH:3][c:4]([F:20])[c:5]([Cl:19])[c:6]([O:8][c:9]2[c:10]([F:18])[c:11]([CH2:16][NH2:17])[cH:12][cH:13][c:14]2[Cl:15])[cH:7]1.[C:21](#[N:22])[Zn:23][C:24]#[N:25].[CH2:31]([OH:32])[CH2:33][CH3:34].[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([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)([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)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[c:2]1([C:21]#[N:22])[cH:3][c:4]([F:20])[c:5]([Cl:19])[c:6]([O:8][c:9]2[c:10]([F:18])[c:11]([CH2:16][NH2:17])[cH:12][cH:13][c:14]2[Cl:15])[cH:7]1