HRID284292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID136809

Benzophenone imine

C13H11N

HCID4574913

未命名化合物

HCID15525916

Ethyl 7-chloroquinoline-3-carboxylate

C12H10ClNO2

PRODUCTS

生成物

结构：CCOC(=O)c1cnc2cc(N=C(c3ccccc3)c3ccccc3)ccc2c1

HCID10287230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39e01e7aa4824723bb295af952011fe4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[NH:36].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[cH:10][c:11]([Cl:16])[cH:12][cH:13][c:14]2[cH:15]1.[CH3:17][C:18]([CH3:19])([O-:20])[CH3:21].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Na+:22].[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:50].[Pd:51]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[cH:10][c:11]([N:36]=[C:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:12][cH:13][c:14]2[cH:15]1