HRID2132226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)C(NC(=O)C(COc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)C

HCID66660903

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C(C)C)N1C(=O)NC(COc2ccc(Br)cc2)C1=O

HCID66660671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e49af731b8b344c88423255fb5601407
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([CH:5]([CH3:6])[CH3:7])[NH:8][C:9]([CH:10]([CH2:11][O:12][c:13]1[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])=[O:29].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:40][C:41]([O:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)=[O:49].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:30]>>[CH3:1][O:2][C:3]([CH:4]([CH:5]([CH3:6])[CH3:7])[N:8]1[C:9](=[O:28])[CH:10]([CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]2)[NH:20][C:21]1=[O:22])=[O:29]