HRID314847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID2762774

4-amino-3-chloro-2-fluorobenzoic acid

C7H5ClFNO2

HCID66877987

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(Cl)c3F)CC2)c1

HCID57917655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71949c3f772548ad83d0cb621404a836
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:13]([CH3:14])([CH3:15])([CH3:16])[NH:17][C:18]([c:19]1[cH:20][c:21]([CH2:25][N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:22][cH:23][cH:24]1)=[O:32].[CH2:40]([P:41]([OH:42])(=[O:43])[OH:44])[CH2:45][CH3:46].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:47][CH2:48][Cl:49].[NH2:1][c:2]1[c:3]([Cl:12])[c:4]([F:11])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1>>[NH2:1][c:2]1[c:3]([Cl:12])[c:4]([F:11])[c:5]([C:6](=[O:8])[N:29]2[CH2:28][CH2:27][N:26]([CH2:25][c:21]3[cH:20][c:19]([C:18]([NH:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:32])[cH:24][cH:23][cH:22]3)[CH2:31][CH2:30]2)[cH:9][cH:10]1