HRID831579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2782448

1-[3-(trifluoromethyl)phenyl]ethanamine

C9H10F3N

结构：O=C(O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

HCID42632357

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)c1cccc(C(F)(F)F)c1

HCID58012076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-484d1730549c420f8684170a186ac4cb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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