HRID670876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID23994

Zinc

HCID2725062

2-Chloro-4-fluorobenzyl bromide

C7H5BrClF

HCID86616454

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(F)cc1Cl)c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1

HCID66670139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01c51373d7184e19a8a01d9a26e5bda9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][Br:4].[CH3:112][CH2:113][O:114][C:115](=[O:116])[CH3:117].[CH3:118][O:119][CH2:120][CH2:121][O:122][CH3:123].[Cl:15][c:16]1[c:17](-[n:23]2[cH:24][c:25]([C:30](=[O:31])[Cl:32])[cH:26][cH:27][c:28]2=[O:29])[c:18]([Cl:22])[cH:19][cH:20][cH:21]1.[Cl:5][c:6]1[c:7]([CH2:8][Br:9])[cH:10][cH:11][c:12]([F:14])[cH:13]1.[ClH:33].[Pd:35].[Zn:34].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[Cl:5][c:6]1[c:7]([CH2:8][C:30]([c:25]2[cH:24][n:23](-[c:17]3[c:16]([Cl:15])[cH:21][cH:20][cH:19][c:18]3[Cl:22])[c:28](=[O:29])[cH:27][cH:26]2)=[O:31])[cH:10][cH:11][c:12]([F:14])[cH:13]1