HRID2160335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID10464392

5-aminopyridine-2-carboxamide

C6H7N3O

结构：CC(C)(C)OC(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1

HCID58709797

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc(C(N)=O)nc4)ncnc3[nH]2)CC1

HCID11711768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d649bdc036243e1bcfea085162f1908
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[Cl:22])[nH:23]2)=[CH:12][CH2:13]1.[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[Cl:96][CH:97]([Cl:98])[Cl:99].[K+:29].[NH2:30][c:31]1[cH:32][cH:33][c:34]([C:37](=[O:38])[NH2:39])[n:35][cH:36]1.[O:100]=[CH:101][N:102]([CH3:103])[CH3:104].[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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[NH:30][c:31]3[cH:32][cH:33][c:34]([C:37](=[O:38])[NH2:39])[n:35][cH:36]3)[nH:23]2)=[CH:12][CH2:13]1