HRID135674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID12747760

5-Bromo-2,3-dichloropyridine

C5H2BrCl2N

HCID46738181

tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

C10H18N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cnc(Cl)c(Cl)c3)CC21

HCID178451516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cc286d960f242a08094a8b27117f7b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:15][c:16]1[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[n:20][cH:21]1.[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH:1]12[CH2:2][NH:3][CH2:4][CH:5]1[N:6]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:7]2.[Na+:29].[O:39]=[C:40]([CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]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.[Pd:37].[Pd:38]>>[CH:1]12[CH2:2][N:3]([c:16]3[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[n:20][cH:21]3)[CH2:4][CH:5]1[N:6]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:7]2