HRID687726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

3 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID74404

2-Chloropyrimidine

C4H3ClN2

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(Br)ccc31)C2

HCID67407775

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(-c4ncccn4)ccc31)C2

HCID77287501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7302662e13746819d62d39d1c299722
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

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