HRID696688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID9321

Hydrazine

H4N2

结构：O=C1c2ccccc2C(=O)N1Cc1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1Cl

HCID86761690

N-[[2-chloro-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]phenyl]methyl]phthalimide

C25H13Cl4F3N2O3

PRODUCTS

生成物

结构：NCc1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1Cl

HCID44628299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86b76e7e3da14176b5a7a17936d3f1b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:42][CH2:43][OH:44].[CH:38]([Cl:39])([Cl:40])[Cl:41].[Cl:1][c:2]1[c:3]([CH2:26][N:27]2[C:28](=[O:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]3[C:36]2=[O:37])[cH:4][cH:5][c:6]([C:8]2=[N:9][O:10][C:11]([C:13]([F:14])([F:15])[F:16])([c:17]3[cH:18][c:19]([Cl:25])[c:20]([Cl:24])[c:21]([Cl:23])[cH:22]3)[CH2:12]2)[cH:7]1.[NH2:46][NH2:47].[OH2:45]>>[Cl:1][c:2]1[c:3]([CH2:26][NH2:27])[cH:4][cH:5][c:6]([C:8]2=[N:9][O:10][C:11]([C:13]([F:14])([F:15])[F:16])([c:17]3[cH:18][c:19]([Cl:25])[c:20]([Cl:24])[c:21]([Cl:23])[cH:22]3)[CH2:12]2)[cH:7]1