HRID1123495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID66763

5-Chloro-2-methoxybenzenamine

C7H8ClNO

HCID2773242

3,5-Bis(trifluoromethyl)styrene

C10H6F6

HCID21749314

未命名化合物

3 次

HCID178514842

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)cc1C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID76546138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-104277ee8f00485593a888ebc2f0433e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B:32]([F:33])([O-:34])[OH:35].[B:36]([F:37])([O-:38])[O-:39].[B:40]([F:41])([O-:42])[O-:43].[B:44]([F:45])([O-:46])[O-:47].[CH3:48][OH:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F:15][C:16]([c:17]1[cH:18][c:19]([CH:20]=[CH2:21])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30].[N:1]([O-:2])=[O:3].[NH2:5][c:6]1[c:7]([O:13][CH3:14])[cH:8][cH:9][c:10]([Cl:12])[cH:11]1.[Na+:4].[OH2:31]>>[c:6]1([CH:21]=[CH:20][c:19]2[cH:18][c:17]([C:16]([F:15])([F:29])[F:30])[cH:24][c:23]([C:25]([F:26])([F:27])[F:28])[cH:22]2)[c:7]([O:13][CH3:14])[cH:8][cH:9][c:10]([Cl:12])[cH:11]1