HRID2321544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5224207

1-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine

C8H7ClF3N

HCID55300151

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)NCC1C(=O)NCc1cccc(C(F)(F)F)c1Cl

HCID25097730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a0b3ec373454d8981ed367b6daf1267
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

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