HRID1227427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75599

4-Amino-o-anisic acid

C8H9NO3

HCID204484

Propylphosphonic acid

C3H9O3P

HCID66877987

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)ccc1C(=O)N1CCN(Cc2cccc(C(=O)NC(C)(C)C)c2)CC1

HCID57917689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6c1f4df9086426b90fa21569ac7dcd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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