HRID2155440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6497

Dimethyl sulfate

C2H6O4S

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID67717

Acetamide, 2,2,2-trifluoro-

C2H2F3NO

HCID75399

5-Fluoro-2-nitroaniline

C6H5FN2O2

PRODUCTS

生成物

HCID22040333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-135965ee636b4b859468b6d63f0e2f0b
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

[CH2:41]([Cl:42])[Cl:43].[CH2:52]([N+:53]([CH3:54])([CH3:55])[CH3:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:34][O:35][S:36]([O:37][CH3:38])(=[O:39])=[O:40].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:63][C:64]#[N:65].[Cl-:51].[F:12][C:13]([F:14])([F:15])[C:16]([O:17][C:18](=[O:19])[C:20]([F:21])([F:22])[F:23])=[O:24].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([NH2:8])[cH:7]1.[F:25][C:26]([C:27]([NH2:29])=[O:31])([F:28])[F:30].[Na+:33].[OH-:32]>>[F:1][c:2]1[cH:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([CH2:27][NH2:29])[cH:7]1