HRID1545471

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

HCID4349738

(6-Hydroxynaphthalen-2-yl)boronic acid

C10H9BO3

结构：O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(Br)cc2)C1

HCID67354236

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cc(O)ccc4c3)cc2)C1

HCID67355520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-497e2d1cb4304ea4855c23616f08351b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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