HRID1222145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl Acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID20330

4-Methylcyclohexanecarboxylic acid

C8H14O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID59752291

3-(1,4-Dioxa-spiro[4.5]dec-8-ylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester

C20H23NO4S

PRODUCTS

产物

HCID59752383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8b81197345d047e7815056a11bd6e442
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

[CH3:1][CH:2]1[CH2:3][CH2:4][CH:5]([C:8](=[O:9])[OH:10])[CH2:6][CH2:7]1.[CH3:38][O:39][C:40](=[O:41])[c:42]1[s:43][c:44](-[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:45][c:46]1[NH:47][CH:48]1[CH2:49][CH2:50][C:51]2([O:52][CH2:53][CH2:54][O:55]2)[CH2:56][CH2:57]1.[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[Cl:30][N:31]1[C:32](=[O:33])[CH2:34][CH2:35][C:36]1=[O:37].[Cl:69][CH2:70][CH2:71][Cl:72].[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[c:11]1([P:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][CH:2]1[CH2:3][CH2:4][CH:5]([C:8](=[O:10])[N:47]([c:46]2[c:42]([C:40]([O:39][CH3:38])=[O:41])[s:43][c:44](-[c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[cH:45]2)[CH:48]2[CH2:49][CH2:50][C:51]3([O:52][CH2:53][CH2:54][O:55]3)[CH2:56][CH2:57]2)[CH2:6][CH2:7]1