查数据/反应详情

HRID668212

反应详情

EQUATION

反应方程式

HRID 668212 的结构方程式

REACTANTS

反应物

2

结构：CCNCC

Diethylamine

C4H11N

结构：O=C(Cl)c1cc(C(F)(F)F)ccc1C(F)(F)F

2,5-Bis(trifluoromethyl)benzoyl chloride

C9H3ClF6O

PRODUCTS

生成物

1

结构：CCN(CC)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b29e2936fe24a7582e3f489fd368bf4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:18]([CH3:19])[NH:20][CH2:21][CH3:22].[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[Cl:7])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1)([F:16])[F:17]>>[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[N:20]([CH2:18][CH3:19])[CH2:21][CH3:22])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1)([F:16])[F:17]

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