HRID165239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID81626

4-Amino-5-chloro-2-methoxybenzoic acid

C8H8ClNO3

HCID204484

Propylphosphonic acid

C3H9O3P

HCID66877987

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)c(Cl)cc1C(=O)N1CCN(Cc2cccc(C(=O)NC(C)(C)C)c2)CC1

HCID57917577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ec0c8aa28fd4a5195527a98b14ae813
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:21]([CH3:22])([CH3:23])([CH3:24])[NH:25][C:26]([c:27]1[cH:28][c:29]([CH2:33][N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:30][cH:31][cH:32]1)=[O:40].[CH2:1]([P:2]([OH:3])(=[O:4])[OH:5])[CH2:6][CH3:7].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:48][CH2:49][Cl:50].[NH2:8][c:9]1[cH:10][c:11]([O:19][CH3:20])[c:12]([C:13](=[O:14])[OH:15])[cH:16][c:17]1[Cl:18]>>[NH2:8][c:9]1[cH:10][c:11]([O:19][CH3:20])[c:12]([C:13](=[O:15])[N:37]2[CH2:36][CH2:35][N:34]([CH2:33][c:29]3[cH:28][c:27]([C:26]([NH:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:40])[cH:32][cH:31][cH:30]3)[CH2:39][CH2:38]2)[cH:16][c:17]1[Cl:18]