HRID296153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID166653

Hydride

H-

HCID3361051

N-(3-chloropropyl)acetamide

C5H10ClNO

HCID14183624

未命名化合物

HCID21246339

[3-(Trifluoromethyl)phenyl]acetaldehyde

C9H7F3O

HCID22158477

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)cc(C(C#N)(CCCN(C)CCc2cccc(C(F)(F)F)c2)C(C)C)c1

HCID13923382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b06570a6b5748838eee69d4fe1c69c9
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

[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([C:12]#[N:13])([CH2:14][CH2:15][CH2:16][NH:17][CH3:18])[CH:19]([CH3:20])[CH3:21])[cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:38][C:39]([NH:40][CH2:41][CH2:42][CH2:43][Cl:44])=[O:45].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH:22]([CH:23]([c:24]1[cH:25][c:26]([O:27][CH3:28])[cH:29][c:30]([O:31][CH3:32])[cH:33]1)[C:34]#[N:35])([CH3:36])[CH3:37].[ClH:48].[F:49][C:50]([c:51]1[cH:52][c:53]([CH2:57][CH:58]=[O:59])[cH:54][cH:55][cH:56]1)([F:60])[F:61].[H-:46].[Na+:47]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([C:12]#[N:13])([CH2:14][CH2:15][CH2:16][N:17]([CH3:18])[CH2:58][CH2:57][c:53]2[cH:52][c:51]([C:50]([F:49])([F:60])[F:61])[cH:56][cH:55][cH:54]2)[CH:19]([CH3:20])[CH3:21])[cH:6][c:7]([O:9][CH3:10])[cH:8]1