HRID186307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

结构：O=C(NC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl

HCID10052832

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCOC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl

HCID57987629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dff10eabc01c4fa6b7b35ebe48f3acd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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