HRID200548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 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

HCID7010316

4-Amino-3-methylbenzonitrile

C8H8N2

HCID57841040

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#N)ccc1Nc1ncc(C(=O)N2CCOCC2)c2c1ccn2C

HCID57840972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f217f34b1794c58bc47ae8f88dca262
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

[C:30](=[O:31])([O-:32])[O-:33].[CH3:90][OH:91].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:6]2[c:7]1[cH:8][cH:9][n:10]2[CH3:11].[Cl:84][CH2:85][Cl:86].[Cl:87][CH2:88][Cl:89].[Cs+:34].[Cs+:35].[NH2:20][c:21]1[c:22]([CH3:29])[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]1.[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:130]=[C:131]([CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1)[CH:140]=[CH:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[O:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:92].[Pd:93].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[c:45]3[c:69]([cH:70][cH:71][cH:72]2)[C:66]([CH3:67])([CH3:68])[c:48]2[c:47]([c:52]([P:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[cH:51][cH:50][cH:49]2)[O:46]3)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[c:2]1([NH:20][c:21]2[c:22]([CH3:29])[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]2)[n:3][cH:4][c:5]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:6]2[c:7]1[cH:8][cH:9][n:10]2[CH3:11]