HRID159257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75954

Butanoyl chloride, 2-ethyl-

C6H11ClO

结构：CCC(CC)C(=O)N(c1ccccc1)C1CCN(c2ccc(N)cc2F)CC1

HCID69305096

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)C(=O)Nc1ccc(N2CCC(N(C(=O)C(CC)CC)c3ccccc3)CC2)c(F)c1

HCID16667232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5aae638610f947c3bd9d6aecd9333690
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:29]([CH3:30])[CH:31]([C:32](=[O:33])[Cl:34])[CH2:35][CH3:36].[Cl:37][CH2:38][Cl:39].[NH2:1][c:2]1[cH:3][c:4]([F:28])[c:5]([N:8]2[CH2:9][CH2:10][CH:11]([N:14]([C:15]([CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([F:28])[c:5]([N:8]2[CH2:9][CH2:10][CH:11]([N:14]([C:15]([CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1)[C:32]([CH:31]([CH2:29][CH3:30])[CH2:35][CH3:36])=[O:33]