HRID1212747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID16665498

未命名化合物

HCID66751535

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(-c2nc(Nc3cc(F)c(CN4CCOCC4C)cc3F)ncc2F)n1C1CCOCC1

HCID66751867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-002f1e9692e44900a2631a87b6d89916
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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