HRID161561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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

HCID162001

2-Chloro-4-trifluoromethylaniline

C7H5ClF3N

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

HCID57841040

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cn1ccc2c(Nc3ccc(C(F)(F)F)cc3Cl)ncc(C(=O)N3CCOCC3)c21

HCID57840838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c03a33d44d04ecda8d7ae4648e79493
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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