HRID1226437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(Br)cccc4C3)c12

HCID58026068

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccc4)C3)c12

HCID44540013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5187813c8a2e4b0fbacbc30675946a7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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