HRID1146946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID17827

Ethanol, 2-(cyclohexylamino)-

C8H17NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID23063873

未命名化合物

HCID67023568

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CCC(=O)N(CCO)C1CCCCC1)C1CCCCC1

HCID67023478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe993282e2084513b3c9490fa353fd80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[NH:18][CH:19]([CH2:20][CH2:21][C:22](=[O:23])[OH:24])[CH:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[CH3:41][NH:42][CH:43]([N:44]=[C:45]=[N:46][CH2:47][CH3:48])[CH2:49][CH2:50][NH:51][CH3:52].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[CH:1]1([NH:7][CH2:8][CH2:9][OH:10])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:53][CH2:54][Cl:55].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[CH:1]1([N:7]([CH2:8][CH2:9][OH:10])[C:22]([CH2:21][CH2:20][CH:19]([NH:18][C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1