HRID146321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

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

HCID13589229

6-Amino-3,3-dimethyl-1,3-dihydro-2H-indol-2-one

C10H12N2O

HCID86665115

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)Nc2cc(Nc3nc(NCC(F)F)c4occc4n3)ccc21

HCID86665116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48a4f9dccd184e9fb58ca788197ac3d4
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:1](=[O:2])([O-:3])[O-:4].[CH3:35][CH2:36][O:37][CH2:38][CH3:39].[Cl:7][c:8]1[n:9][c:10]([NH:17][CH2:18][CH:19]([F:20])[F:21])[c:11]2[c:12]([n:13]1)[cH:14][cH:15][o:16]2.[Cs+:5].[Cs+:6].[NH2:22][c:23]1[cH:24][cH:25][c:26]2[c:30]([cH:31]1)[NH:29][C:28](=[O:32])[C:27]2([CH3:33])[CH3:34].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[c:8]1([NH:22][c:23]2[cH:24][cH:25][c:26]3[c:30]([cH:31]2)[NH:29][C:28](=[O:32])[C:27]3([CH3:33])[CH3:34])[n:9][c:10]([NH:17][CH2:18][CH:19]([F:20])[F:21])[c:11]2[c:12]([n:13]1)[cH:14][cH:15][o:16]2