HRID2147686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID31268

Pyrrolidine

C4H9N

HCID842098

methyl 5-bromo-2-chlorobenzoate

C8H6BrClO2

HCID4574913

未命名化合物

HCID10608925

5-bromo-2-chlorobenzaldehyde

C7H4BrClO

HCID16721212

未命名化合物

PRODUCTS

生成物

HCID13567964

4-Chloro-3-formylbenzonitrile

C8H4ClNO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed84cecc4dc846109bd30d8ec70f3eff
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([Cl:10])[c:6]([CH:7]=[O:8])[cH:9]1.[C:46]([O:47][CH3:48])([CH3:49])([CH3:50])[CH3:51].[CH2:11]1[CH2:12][NH:14][CH2:13][CH2:15]1.[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:17][O:18][CH2:19][CH2:20][O:21][AlH2-:22][O:23][CH2:24][CH2:25][O:26][CH3:27].[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH3:34][O:35][C:36](=[O:37])[c:38]1[cH:39][c:40]([Br:41])[cH:42][cH:43][c:44]1[Cl:45].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[K+:33].[Na+:16]>>[c:2]1([C:13]#[N:14])[cH:3][cH:4][c:5]([Cl:10])[c:6]([CH:7]=[O:8])[cH:9]1