HRID1241043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID16971

1-Bromo-3-methoxybenzene

C7H7BrO

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

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

PRODUCTS

生成物

结构：CCOC(=O)c1cn(CC)c2c(F)c(-c3cccc(OC)c3)c(F)cc2c1=O

HCID20227242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b6e01c0e763482fb211ba5fdffd8d5b
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:15][c:16]1[c:17]([F:35])[cH:18][c:19]2[c:20](=[O:34])[c:21]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:22][n:23]([CH2:27][CH3:28])[c:24]2[c:25]1[F:26].[Br:1][c:2]1[cH:3][c:4]([O:8][CH3:9])[cH:5][cH:6][cH:7]1.[C:10]([Li:11])([CH3:12])([CH3:13])[CH3:14].[Cl-:36].[Cl-:38].[Pd:39].[Zn+2:37].[c:40]1([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)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([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)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([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)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([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)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[c:2]1(-[c:16]2[c:17]([F:35])[cH:18][c:19]3[c:20](=[O:34])[c:21]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:22][n:23]([CH2:27][CH3:28])[c:24]3[c:25]2[F:26])[cH:3][c:4]([O:8][CH3:9])[cH:5][cH:6][cH:7]1