HRID816407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

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

HCID24994657

未命名化合物

HCID59610036

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(=O)N1CCC(c2csc(Nc3cc(Oc4cnccc4C#N)ccn3)n2)CC1

HCID24864141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b73847d527bb4002b7c14e06e31965c5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:40][C:41]1([CH3:42])[c:43]2[cH:44][cH:45][cH:46][c:47]([P:48]([c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[c:61]2[O:62][c:63]2[c:64]1[cH:65][cH:66][cH:67][c:68]2[P:69]([c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[c:10]([C:11]#[N:12])[cH:13][cH:14][n:15][cH:16]2)[cH:7]1.[K+:37].[K+:38].[K+:39].[NH2:17][c:18]1[s:19][cH:20][c:21]([CH:23]2[CH2:24][CH2:25][N:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]2)[n:22]1.[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.[P:32]([O-:33])([O-:34])([O-:35])=[O:36].[Pd:82].[Pd:83]>>[ClH:1].[c:2]1([NH:17][c:18]2[s:19][cH:20][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]3)[n:22]2)[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[c:10]([C:11]#[N:12])[cH:13][cH:14][n:15][cH:16]2)[cH:7]1