HRID808634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

结构：CNc1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

HCID16086139

N-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

C15H20BN3O2

HCID58466449

未命名化合物

PRODUCTS

生成物

结构：CNc1ncc2cc(-c3c(C)cnc4c(=O)n(Cc5ccc(OC)cc5)ccc34)ccc2n1

HCID58942251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07be1d0793ad424abe42bf0c098d2990
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[cH:9][cH:10][c:11]3[c:12]([Cl:20])[c:13]([CH3:19])[cH:14][n:15][c:16]3[c:17]2=[O:18])[cH:21][cH:22]1.[CH3:23][NH:24][c:25]1[n:26][c:27]2[cH:28][cH:29][c:30]([B:35]3[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]3)[cH:31][c:32]2[cH:33][n:34]1.[CH3:54][OH:55].[CH3:56][CH2:57][OH:58].[Cl:51][CH2:52][Cl:53].[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[OH2:50]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[cH:9][cH:10][c:11]3[c:12](-[c:30]4[cH:29][cH:28][c:27]5[n:26][c:25]([NH:24][CH3:23])[n:34][cH:33][c:32]5[cH:31]4)[c:13]([CH3:19])[cH:14][n:15][c:16]3[c:17]2=[O:18])[cH:21][cH:22]1