HRID1204674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5224207

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

C8H7ClF3N

HCID24275928

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccc(C(F)(F)F)c1Cl)C1CCC(=O)N1Cc1ccccn1

HCID59303350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c16600bb3bc24ee0a958a76df555c43f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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