HRID171964

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

HCID4574913

未命名化合物

HCID9855455

未命名化合物

HCID9905031

N-(3-chlorophenyl)-4-(2-chloropyridin-4-yl)pyrimidin-2-amine

C15H10Cl2N4

PRODUCTS

产物

HCID22027860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8c091d348343434a8c0592a749f0b962
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

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