HRID201936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2734388

3-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：Cc1cc(SCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)ccc1OCC(=O)O

HCID10370262

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(SCC=C(c2ccc(Br)cc2)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O

HCID66758886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cb4d9bc663948929351734392125eeb
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:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][S:11][c:12]2[cH:13][c:14]([CH3:23])[c:15]([O:16][CH2:17][C:18](=[O:19])[OH:20])[cH:21][cH:22]2)[c:24]2[cH:25][cH:26][c:27]([Br:30])[cH:28][cH:29]2)[cH:6][cH:7]1.[F-:44].[F:31][C:32]([c:33]1[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][cH:37][cH:38]1)([F:42])[F:43].[K+:45].[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[c:2]1(-[c:35]2[cH:34][c:33]([C:32]([F:31])([F:42])[F:43])[cH:38][cH:37][cH:36]2)[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][S:11][c:12]2[cH:13][c:14]([CH3:23])[c:15]([O:16][CH2:17][C:18](=[O:19])[OH:20])[cH:21][cH:22]2)[c:24]2[cH:25][cH:26][c:27]([Br:30])[cH:28][cH:29]2)[cH:6][cH:7]1