查数据/反应详情

HRID1116134

反应详情

EQUATION

反应方程式

HRID 1116134 的结构方程式

REACTANTS

反应物

2

结构：Cn1ccc(I)cc1=O

4-Iodo-1-methylpyridin-2(1H)-one

C6H6INO

结构：CCC(c1ccc(Br)cc1)N1CCC(CC)(c2ccccc2)OC1=O

未命名化合物

PRODUCTS

生成物

1

结构：CCC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC(CC)(c2ccccc2)OC1=O

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-febb83c5f91b4eeeb1d468cdb5dfaaf1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH3:10])[N:11]2[C:12](=[O:25])[O:13][C:14]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:23][CH3:24])[CH2:15][CH2:16]2)[cH:6][cH:7]1.[I:26][c:27]1[cH:28][c:29](=[O:34])[n:30]([CH3:33])[cH:31][cH:32]1>>[c:2]1(-[c:27]2[cH:28][c:29](=[O:34])[n:30]([CH3:33])[cH:31][cH:32]2)[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH3:10])[N:11]2[C:12](=[O:25])[O:13][C:14]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:23][CH3:24])[CH2:15][CH2:16]2)[cH:6][cH:7]1

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