HRID1200961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID20330

4-Methylcyclohexanecarboxylic acid

C8H14O2

结构：COC(=O)c1sc(C2=CCCCC2)cc1NC1CCN2C(=O)CCC2C1

HCID57795496

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCN2C(=O)CCC2C1

HCID57795514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-162351987e8a407eadc295312202d1a7
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

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