HRID211928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID962

Water

H2O

6 次

HCID1049

Pyridine

C5H5N

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID27099

Copper(2+)

Cu+2

HCID59754302

未命名化合物

PRODUCTS

生成物

HCID53416208

4-Amino-2-chloro-3-fluorobenzonitrile

C7H4ClFN2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c373aeb24c94c82aada9a0dd09e1167
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH:22]1([N:23]=[C:24]=[N:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[CH:52]([OH:53])=[O:54].[Cl:38][CH2:39][Cl:40].[ClH:1].[Cu+2:51].[NH2:2][OH:3].[NH2:4][c:5]1[c:6]([F:14])[c:7]([Cl:13])[c:8]([CH:9]=[O:10])[cH:11][cH:12]1.[OH2:37].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[S:46]([O-:47])([O-:48])(=[O:49])=[O:50].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[NH2:4][c:5]1[c:6]([F:14])[c:7]([Cl:13])[c:8]([C:9]#[N:17])[cH:11][cH:12]1