HRID111636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID105144

Palladium(2+)

Pd+2

HCID2760898

Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

C10H18N2O2

HCID4574913

未命名化合物

结构：CC(Nc1cc(-n2nc(Cl)c3ccccc32)ccn1)c1ccccc1

HCID68905958

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cc(-n2nc(N3CC4CC3CN4C(=O)OC(C)(C)C)c3ccccc32)ccn1)c1ccccc1

HCID68910731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5b54678089f4885976ab15eae55fe69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH:34]2[CH2:35][NH:36][CH:37]([CH2:38]1)[CH2:39]2.[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH2:53]([Cl:54])[Cl:55].[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl:1][c:2]1[n:3][n:4](-[c:11]2[cH:12][c:13]([NH:17][CH:18]([CH3:19])[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:14][cH:15][cH:16]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[Na+:45].[Pd+2:60]>>[c:2]1([N:36]2[CH2:35][CH:34]3[N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:38][CH:37]2[CH2:39]3)[n:3][n:4](-[c:11]2[cH:12][c:13]([NH:17][CH:18]([CH3:19])[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:14][cH:15][cH:16]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12