HRID1122017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9971

Benzoic acid, 4-amino-3-fluoro-

C7H6FNO2

HCID19660

Carbonate

CO3-2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID66878608

未命名化合物

PRODUCTS

生成物

结构：CCC(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2)c1

HCID66879319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd72891ec4f64d9685e1ea05086e8bcb
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:55](=[O:56])([O-:57])[O-:58].[CH2:39]([P:40]([OH:41])(=[O:42])[OH:43])[CH2:44][CH3:45].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:1]([CH3:2])([CH2:3][CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:20].[Cl:46][CH2:47][Cl:48].[K+:59].[K+:60].[NH2:21][c:22]1[c:23]([F:31])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1>>[CH:1]([CH3:2])([CH2:3][CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:26]([c:25]3[cH:24][c:23]([F:31])[c:22]([NH2:21])[cH:30][cH:29]3)=[O:27])[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:20]