HRID1120710

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

HCID2775295

4-Methoxy-3-(trifluoromethyl)benzoic acid

C9H7F3O3

HCID59541992

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ccccc4)CC3)C2)cc1C(F)(F)F

HCID49763223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dab6fa53503a475a8cc480b59a501336
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

[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:40][O:41][c:42]1[c:43]([C:51]([F:52])([F:53])[F:54])[cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1.[F:33][C:34]([F:35])([F:36])[C:37]([OH:38])=[O:39].[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:46]([c:45]1[cH:44][c:43]([C:51]([F:52])([F:53])[F:54])[c:42]([O:41][CH3:40])[cH:50][cH:49]1)=[O:47]