HRID140980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7238

2-Chlorotoluene

C7H7Cl

HCID7810

4-Chlorotoluene

C7H7Cl

HCID8502

4-Nitrobenzoyl chloride

C7H4ClNO3

HCID9808

2-Fluorobenzoyl chloride

C7H4ClFO

HCID11875

2-Nitrobenzoyl chloride

C7H4ClNO3

HCID67607

Benzoyl chloride, 4-(trifluoromethyl)-

C8H4ClF3O

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

HCID68515

Benzoyl chloride, 4-bromo-

C7H4BrClO

HCID69110

Benzoyl chloride, 2-chloro-

C7H4Cl2O

HCID69112

Benzoyl chloride, 2-iodo-

C7H4ClIO

HCID74373

Benzoyl chloride, 4-iodo-

C7H4ClIO

HCID74376

Benzoyl chloride, 3-fluoro-

C7H4ClFO

HCID81495

2-(Chloromethyl)anisole

C8H9ClO

HCID85368

4-Ethylbenzoyl chloride

C9H9ClO

PRODUCTS

生成物

HCID7412

Benzoyl chloride

C7H5ClO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-509b07359d334e2cb9e33eee331d1e59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:41][c:42]1[cH:43][cH:44][c:45]([C:46]([Cl:47])=[O:48])[cH:49][cH:50]1.[CH2:112]([c:113]1[cH:114][cH:115][c:116]([C:117]([Cl:118])=[O:119])[cH:120][cH:121]1)[CH3:122].[CH2:64]([Cl:65])[c:66]1[c:67]([O:68][CH3:69])[cH:70][cH:71][cH:72][cH:73]1.[Cl:82][c:83]1[cH:84][cH:85][cH:86][cH:87][c:88]1[C:89]([Cl:90])=[O:91].[F:123][c:124]1[cH:125][cH:126][cH:127][cH:128][c:129]1[C:130]([Cl:131])=[O:132].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10]1.[F:31][c:32]1[cH:33][c:34]([C:38]([Cl:39])=[O:40])[cH:35][cH:36][cH:37]1.[F:51][C:52]([F:53])([F:54])[c:55]1[cH:56][cH:57][c:58]([C:59]([Cl:60])=[O:61])[cH:62][cH:63]1.[I:102][c:103]1[cH:104][cH:105][cH:106][cH:107][c:108]1[C:109]([Cl:110])=[O:111].[I:92][c:93]1[cH:94][cH:95][c:96]([C:97]([Cl:98])=[O:99])[cH:100][cH:101]1.[N+:11]([c:12]1[cH:13][cH:14][c:15]([C:16]([Cl:17])=[O:18])[cH:19][cH:20]1)([O-:21])=[O:22].[N+:133]([c:134]1[cH:135][cH:136][cH:137][cH:138][c:139]1[C:140]([Cl:141])=[O:142])([O-:143])=[O:144].[c:23]1([CH3:24])[c:25]([Cl:26])[cH:27][cH:28][cH:29][cH:30]1.[c:74]1([CH3:75])[cH:76][cH:77][c:78]([Cl:79])[cH:80][cH:81]1>>[cH:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10]1