HRID101766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID136809

Benzophenone imine

C13H11N

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID13459137

3-Bromo-8-chloro-1,5-naphthyridine

C8H4BrClN2

PRODUCTS

生成物

结构：Clc1ccnc2cc(N=C(c3ccccc3)c3ccccc3)cnc12

HCID57691058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82baf31eaf2e4de2b50b1727fb9faefc
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

[Br:53][c:54]1[cH:55][n:56][c:57]2[c:58]([Cl:64])[cH:59][cH:60][n:61][c:62]2[cH:63]1.[CH3:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[Cl:79][CH2:80][Cl:81].[Na+:52].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)[CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]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:82].[Pd:83].[c:65]1([C:71](=[NH:72])[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[c:54]1([N:72]=[C:71]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:55][n:56][c:57]2[c:58]([Cl:64])[cH:59][cH:60][n:61][c:62]2[cH:63]1