HRID2154820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID280891

2-Methoxypyridin-4-amine

C6H8N2O

HCID579207

2-Methoxy-4-nitropyridine-n-oxide

C6H6N2O4

HCID86595337

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2ncnc3[nH]c(-c4ccc(CO)cc4)cc23)ccn1

HCID69180544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52f62c164074414a802c3dd5244c65fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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