HRID2132547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

结构：CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c(CO)c1

HCID86639411

(5-(4-(1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenoxy)-2-nitrophenyl) methanol

C21H21F6NO6

PRODUCTS

生成物

结构：CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c(COC(=O)Nc2ccccc2)c1

HCID86639412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-901b99d5094d404a834715339a810fa5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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