HRID1134659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID20151477

4-Amino-2,5-difluorobenzoic acid

C7H5F2NO2

HCID66877987

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3cc(F)c(N)cc3F)CC2)c1

HCID57917587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7da2f993d9e74cc581b3034bd9a037ee
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

[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]([F:19])[c:12]([C:13](=[O:14])[OH:15])[cH:16][c:17]1[F:18]>>[NH2:8][c:9]1[cH:10][c:11]([F: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][c:17]1[F:18]