HRID285787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID69861

4-tert-Butylaniline

C10H15N

HCID21904730

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccn3)CC2)cc1

HCID44580004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-939d5693e30140a9a06adfa640b23cd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:27]([CH3:28])([CH3:29])([CH3:30])[c:31]1[cH:32][cH:33][c:34]([NH2:35])[cH:36][cH:37]1.[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[Cl:38][CH2:39][Cl:40].[O:16]=[CH:17][N:18]([CH3:19])[CH3:20].[OH2:50].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1.[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][C:10]([C:13](=[O:14])[OH:15])=[CH:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][C:10]([C:13](=[O:15])[NH:35][c:34]3[cH:33][cH:32][c:31]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:37][cH:36]3)=[CH:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1