HRID120357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

结构：CC(=O)N1c2ccc(NC(=O)c3ccc(I)cc3)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962904

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fd8de5e582e4d6ca0b2b6038a273cb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:31])([CH3:32])[CH2:6][C:7]([CH3:24])([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:8]2[cH:9][c:10]([NH:14][C:15]([c:16]3[cH:17][cH:18][c:19]([I:22])[cH:20][cH:21]3)=[O:23])[cH:11][cH:12][c:13]21.[CH2:64]([OH:65])[CH3:66].[CH2:67]([CH2:68][O:69][CH3:70])[O:71][CH3:72].[Cl:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[Cs+:44].[F-:43].[O:111]=[C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)[CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:73].[Pd:74].[c:45]1([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)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:31])([CH3:32])[CH2:6][C:7]([CH3:24])([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:8]2[cH:9][c:10]([NH:14][C:15]([c:16]3[cH:17][cH:18][c:19](-[c:37]4[cH:36][cH:35][c:34]([Cl:33])[cH:39][cH:38]4)[cH:20][cH:21]3)=[O:23])[cH:11][cH:12][c:13]21