HRID199916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID3016537

4-Bromo-2-chloroanisole

C7H6BrClO

结构：CCOC(=O)c1cn(CC)c2c(F)c(Br)c(F)cc2c1=O

HCID13732752

未命名化合物

HCID178418306

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：CCOC(=O)c1cn(CC)c2c(F)c(-c3ccc(OC)c(Cl)c3)c(F)cc2c1=O

HCID13732818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f26722defc914d1a8be6161dc32266d9
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

[Br:16][c:17]1[c:18]([F:36])[cH:19][c:20]2[c:21](=[O:35])[c:22]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:23][n:24]([CH2:28][CH3:29])[c:25]2[c:26]1[F:27].[Br:1][c:2]1[cH:3][c:4]([Cl:10])[c:5]([O:8][CH3:9])[cH:6][cH:7]1.[C:11]([Li:12])([CH3:13])([CH3:14])[CH3:15].[Cl-:37].[Cl-:39].[Zn+2:38].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:17]2[c:18]([F:36])[cH:19][c:20]3[c:21](=[O:35])[c:22]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:23][n:24]([CH2:28][CH3:29])[c:25]3[c:26]2[F:27])[cH:3][c:4]([Cl:10])[c:5]([O:8][CH3:9])[cH:6][cH:7]1