HRID96270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID136809

Benzophenone imine

C13H11N

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID4574913

未命名化合物

HCID59519519

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(Nc1cc(N=C(c2ccccc2)c2ccccc2)cnc1Cl)N1CCOCC1

HCID86647078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bc264a5990748d3b57b3e53a177b6b7
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:1][c:2]1[cH:3][c:4]([NH:9][S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[c:5]([Cl:8])[n:6][cH:7]1.[C:67]([c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)([c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[NH:80].[CH3:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[CH3:61][C:62]([CH3:63])([O-:64])[CH3:65].[Na+:66].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:81].[Pd:82].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[c:28]3[c:52]([cH:53][cH:54][cH:55]2)[C:49]([CH3:50])([CH3:51])[c:31]2[c:30]([c:35]([P:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:34][cH:33][cH:32]2)[O:29]3)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[c:2]1([N:80]=[C:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:3][c:4]([NH:9][S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[c:5]([Cl:8])[n:6][cH:7]1