HRID1223794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6573

1,1-Dichloropropane

C3H6Cl2

HCID6808

1,2,3,6-Tetrahydrophthalimide

C8H9NO2

HCID8212

Octadecanoyl chloride

C18H35ClO

HCID8471

Triethylamine

C6H15N

2 次

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCCC(=O)N1C(=O)C2CC=CCC2C1=O

HCID21495916

2-Octadecanoyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

C26H43NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16554f18633d41e5a9fb03a7fb93bc6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])(=[O:37])[Cl:38].[CH2:40]([N:41]([CH2:42][CH3:43])[CH2:44][CH3:45])[CH3:46].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH:1]12[CH:2]([CH2:3][CH:4]=[CH:5][CH2:6]1)[C:7](=[O:11])[NH:8][C:9]2=[O:10].[Cl:47][CH:48]([Cl:49])[CH2:50][CH3:51].[ClH:39]>>[CH:1]12[CH:2]([CH2:3][CH:4]=[CH:5][CH2:6]1)[C:7](=[O:11])[N:8]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])=[O:37])[C:9]2=[O:10]