HRID174120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6115

Aniline

C6H7N

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID22253055

Methyl 3-bromo-5-(2-oxopyrrolidin-1-yl)benzoate

C12H12BrNO3

PRODUCTS

生成物

结构：COC(=O)c1cc(Nc2ccccc2)cc(N2CCCC2=O)c1

HCID69360108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-897a3c39898a45f89f7d8c90c7c70c5d
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:18](=[O:19])([O-:20])[O-:21].[C:24]([P:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][c:35]1-[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([CH3:42])([CH3:43])[CH3:44].[CH3:115][O:116][CH2:117][CH2:118][O:119][CH3:120].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:16])[cH:7][c:8]([N:10]2[C:11](=[O:15])[CH2:12][CH2:13][CH2:14]2)[cH:9]1)=[O:17].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cs+:22].[Cs+:23].[NH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[OH2:52].[Pd:59].[Pd:60]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:7][c:8]([N:10]2[C:11](=[O:15])[CH2:12][CH2:13][CH2:14]2)[cH:9]1)=[O:17]