HRID199678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75938

Cyclohexanecarbonyl chloride

C7H11ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：Cn1c(=O)c(CNCC(c2ccccc2)C2CCOCC2)cc2ccccc21

HCID58415937

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c(CN(CC(c2ccccc2)C2CCOCC2)C(=O)C2CCCCC2)cc2ccccc21

HCID58415921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e89e0c2c9bf24f25a945ade83f8a2d09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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