查数据/反应详情

HRID176454

反应详情

EQUATION

反应方程式

HRID 176454 的结构方程式

REACTANTS

反应物

3

结构：Nc1ccccc1

Aniline

C6H7N

结构：C=CCBr

Allyl bromide

C3H5Br

结构：O=C(Nc1ccccc1)C(F)(F)F

Trifluoroacetanilide

C8H6F3NO

PRODUCTS

生成物

1

结构：C=CCNc1ccccc1

N-Allylaniline

C9H11N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6605ace53b7e4a7282b33b8155aa1ae0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:8]([CH:9]=[CH2:10])[Br:11].[F:12][C:13]([F:14])([F:15])[C:16]([NH:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24].[NH2:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:10][CH:9]=[CH2:8]

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