HRID1131211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7865

Methyl formate

C2H4O2

HCID8857

Ethyl acetate

C4H8O2

HCID521297

Hypochlorous acid, 1,1-dimethylethyl ester

C4H9ClO

结构：C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1Cl

HCID12416138

未命名化合物

PRODUCTS

生成物

结构：C=C(CCl)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1Cl

HCID70480530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c3fc6a768664b04956a36e7e07c4c04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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