HRID180939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID10975612

3-CHLORO-5-METHOXYPYRIDAZINE

C5H5ClN2O

HCID44185106

未命名化合物

PRODUCTS

生成物

结构：COc1cnnc(Nc2ccc(Oc3ccnc4cc(OC)cnc34)cc2)c1

HCID59427303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ddab328d8f646e1b140ceb57fbcbb5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[CH3:9][O:10][c:11]1[cH:12][n:13][c:14]2[c:15]([O:21][c:22]3[cH:23][cH:24][c:25]([NH2:28])[cH:26][cH:27]3)[cH:16][cH:17][n:18][c:19]2[cH:20]1.[Cl:29][c:30]1[n:31][n:32][cH:33][c:34]([O:36][CH3:37])[cH:35]1.[K+:6].[K+:7].[K+:8].[O:40]=[C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[P:1]([O-:2])([O-:3])([O-:4])=[O:5].[Pd:38].[Pd:39]>>[CH3:9][O:10][c:11]1[cH:12][n:13][c:14]2[c:15]([O:21][c:22]3[cH:23][cH:24][c:25]([NH:28][c:30]4[n:31][n:32][cH:33][c:34]([O:36][CH3:37])[cH:35]4)[cH:26][cH:27]3)[cH:16][cH:17][n:18][c:19]2[cH:20]1