HRID309201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID59296116

未命名化合物

结构：CC(C)(C)C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(Br)cc2)C1

HCID67355709

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cccnc4c3)cc2)C1

HCID71087362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1f8d349f8b045ac99de029714a7e4d0
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

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