HRID671864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

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

HCID67338687

未命名化合物

PRODUCTS

生成物

结构：CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)CCC6)ncnc34)ccc2n1

HCID24863242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5da7a8105634d3b87a41a2f6eb30df1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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