HRID2316980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID5152159

3-(trifluoromethyl)pyrrolidine

C5H8F3N

结构：COc1cn(-c2cccc(Br)c2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID58072344

未命名化合物

PRODUCTS

生成物

结构：COc1cn(-c2cccc(N3CCC(C(F)(F)F)C3)c2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID58072225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbd75073e6e643afb303d4a73354f215
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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