HRID2143760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

反应SMILES：CCOC(=O)CC(O)C1(NC(=O)OC(C)(C)C)CC(OCc2ccccc2)C1

HCID18427801

未命名化合物

HCID53630274

3-(Cycloundecen-1-yl)-1,2-diazacycloundec-2-ene

C20H36N2

PRODUCTS

产物

反应SMILES：CCOC(=O)C=CC1(NC(=O)OC(C)(C)C)CC(OCc2ccccc2)C1

HCID91028700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c05cff60451a4525bdec00e8379b8c77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:41]1([C:42]2=[CH:52][CH2:51][CH2:50][CH2:49][CH2:48][CH2:47][CH2:46][CH2:45][CH2:44][CH2:43]2)=[N:62][NH:61][CH2:60][CH2:59][CH2:58][CH2:57][CH2:56][CH2:55][CH2:54][CH2:53]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH2:10][C:11]([NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH:21]([CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[OH:28])[CH2:12]1.[CH3:29][S:30](=[O:31])(=[O:32])[Cl:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl-:63].[Cl:65][CH2:66][Cl:67].[NH4+:64]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH2:10][C:11]([NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH:21]=[CH:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:12]1