HRID2328041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：O=C(O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1

HCID616602

3-Nitro-5-(trifluoromethyl)benzoic acid

C8H4F3NO4

HCID59541992

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC1CN(C2CCC(c3ccccc3)CC2)C1

HCID49763456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-888e9d54a5224c5b8cb9a3789ad2a0ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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