HRID2338246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9321

Hydrazine

H4N2

HCID92298

p-(Trifluoromethoxy)phenyl isocyanate

C8H4F3NO2

HCID10954599

2-(3-Methyl-5-isoxazolyl)-1-phenyl-1-ethanone

C12H11NO2

HCID15239233

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccccc2)on1

HCID15239234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a8acf3d718c4f0084b3f4fec344efaa
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][c:2]1[cH:3][c:4]([CH2:5][C:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)=[O:13])[o:14][n:15]1.[CH3:25][c:26]1[n:27][o:28][c:29]([CH:31]2[C:32]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)=[N:33][NH:34][CH2:35]2)[cH:30]1.[CH3:59][C:60](=[O:61])[OH:62].[Cl:56][CH2:57][Cl:58].[F:42][C:43]([O:44][c:45]1[cH:46][cH:47][c:48]([N:51]=[C:52]=[O:53])[cH:49][cH:50]1)([F:54])[F:55].[NH2:23][NH2:24].[OH:16][C:17]([C:18]([F:19])([F:20])[F:21])=[O:22]>>[CH3:25][c:26]1[n:27][o:28][c:29]([CH:31]2[C:32]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)=[N:33][N:34]([C:52]([NH:51][c:48]3[cH:47][cH:46][c:45]([O:44][C:43]([F:42])([F:54])[F:55])[cH:50][cH:49]3)=[O:53])[CH2:35]2)[cH:30]1