HRID294142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID16720377

3,5-Difluoro-N-methylaniline

C7H7F2N

结构：CC(Br)c1cc(C(=O)N2CCCC2)cc2c(=O)cc(N3CCOCC3)oc12

HCID58235008

未命名化合物

PRODUCTS

生成物

结构：CC(c1cc(C(=O)N2CCCC2)cc2c(=O)cc(N3CCOCC3)oc12)N(C)c1cc(F)cc(F)c1

HCID58235043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4718239c8f147108b2a82af27c58f1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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