HRID136637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID949

N,N-Dimethylaniline

C8H11N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID107385

2-Methylpentanoyl chloride

C6H11ClO

结构：CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1OC(=O)CO

HCID178435318

未命名化合物

PRODUCTS

生成物

结构：CCCC(C)C(=O)OCC(=O)OC1C(CC)CC2C3CCC4=CC(=O)CCC4C3CCC21C

HCID178445509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16fa312c2deb47d89384fdeea07d6676
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

[CH2:1]([CH3:2])[CH:3]1[CH:4]([O:22][C:23]([CH2:24][OH:25])=[O:26])[C:5]2([CH3:6])[CH:7]([CH2:8]1)[CH:9]1[CH2:10][CH2:11][C:12]3=[CH:13][C:14](=[O:21])[CH2:15][CH2:16][CH:17]3[CH:18]1[CH2:19][CH2:20]2.[CH3:27][N:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH3:35].[CH3:36][CH:37]([C:38](=[O:39])[Cl:40])[CH2:41][CH2:42][CH3:43].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:44][CH2:45][Cl:46]>>[CH2:1]([CH3:2])[CH:3]1[CH:4]([O:22][C:23]([CH2:24][O:25][C:38]([CH:37]([CH3:36])[CH2:41][CH2:42][CH3:43])=[O:39])=[O:26])[C:5]2([CH3:6])[CH:7]([CH2:8]1)[CH:9]1[CH2:10][CH2:11][C:12]3=[CH:13][C:14](=[O:21])[CH2:15][CH2:16][CH:17]3[CH:18]1[CH2:19][CH2:20]2