HRID101292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID8018

2-Methoxyethylamine

C3H9NO

HCID736489

未命名化合物

HCID20298126

未命名化合物

PRODUCTS

产物

HCID7175816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-019ee560424a482e887866bb6921e981
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][CH2:13][CH:14]([C:17]([NH:18][CH2:19][CH2:20][O:21][CH3:22])=[O:23])[CH2:15][CH2:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH2:32]([O:33][C:34]([N:35]1[CH2:36][CH2:37][CH:38]([C:39]([OH:40])=[O:41])[CH2:42][CH2:43]1)=[O:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:51][O:52][CH2:53][CH2:54][NH2:55].[CH3:56][CH2:57][OH:58].[Cl-:31]>>[NH:11]1[CH2:12][CH2:13][CH:14]([C:17]([NH:18][CH2:19][CH2:20][O:21][CH3:22])=[O:23])[CH2:15][CH2:16]1