HRID1128599

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

HCID2782737

4-Nitro-2-(trifluoromethyl)benzoic acid

C8H4F3NO4

HCID66877987

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1

HCID66878555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59c31957b05f45379eb9d381070a9897
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:1]([CH3:2])([CH3:3])([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].[CH2:44]([P:45]([OH:46])(=[O:47])[OH:48])[CH2:49][CH3:50].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:51][CH2:52][Cl:53].[N+:21](=[O:22])([O-:23])[c:24]1[cH:25][c:26]([C:33]([F:34])([F:35])[F:36])[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([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:28]([c:27]3[c:26]([C:33]([F:34])([F:35])[F:36])[cH:25][c:24]([N+:21](=[O:22])[O-:23])[cH:32][cH:31]3)=[O:29])[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:20]