HRID2322759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

结构：CNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID17750273

N-Methyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

C14H21BN2O3

结构：Cn1ccc(CN2C(=O)C3(C)COCCN3c3nc(Cl)ncc32)n1

HCID86651564

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)Nc1ccc(-c2ncc3c(n2)N2CCOCC2(C)C(=O)N3Cc2ccn(C)n2)cc1

HCID51352070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe5f4af40d804fe181da90f9d51c53e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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