HRID674837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

HCID81531

Diisopropylethylamine

C8H19N

HCID11426991

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)N1CCN(CC2CC(c3ccc(CN4CCCC4)cc3)C2)CC1

HCID21934863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78363cafd2254774af947bf12466a845
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

[C:33]([CH:34]([CH3:35])[CH3:36])(=[O:37])[Cl:38].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[Cl:39][CH2:40][CH2:41][Cl:42].[N:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[CH2:14][CH:15]([CH2:17][N:18]4[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]4)[CH2:16]3)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[CH2:14][CH:15]([CH2:17][N:18]4[CH2:19][CH2:20][N:21]([C:33]([CH:34]([CH3:35])[CH3:36])=[O:37])[CH2:22][CH2:23]4)[CH2:16]3)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1