HRID2129074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OB(c2ccc3cc(NC(=O)c4cccs4)ccc3c2)OC1(C)C

HCID67386798

未命名化合物

HCID67386828

N3-(5-Bromo-1-isoquinolinyl)-N1,N1-dimethyl-1,3-propanediamine

C14H18BrN3

PRODUCTS

生成物

结构：CN(C)CCCNc1nccc2c(-c3ccc4cc(NC(=O)c5cccs5)ccc4c3)cccc12

HCID58828870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-527fceb377694a40a3050a010edbc525
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6][c:7]([NH:12][CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[c:8]2[cH:9][cH:10][cH:11]1.[C:46](=[O:47])([O-:48])[O-:49].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:19][C:20]1([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25][B:26]([c:27]2[cH:28][c:29]3[cH:30][cH:31][c:32]([NH:37][C:38](=[O:39])[c:40]4[s:41][cH:42][cH:43][cH:44]4)[cH:33][c:34]3[cH:35][cH:36]2)[O:45]1.[Cl:58][CH2:59][Cl:60].[K+:50].[K+:51].[OH2:61]>>[c:2]1(-[c:27]2[cH:28][c:29]3[cH:30][cH:31][c:32]([NH:37][C:38](=[O:39])[c:40]4[s:41][cH:42][cH:43][cH:44]4)[cH:33][c:34]3[cH:35][cH:36]2)[c:3]2[cH:4][cH:5][n:6][c:7]([NH:12][CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[c:8]2[cH:9][cH:10][cH:11]1