HRID180432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID853178

2,6-Dimethoxypyridine-3-carboxylic acid

C8H9NO4

HCID67022406

acetic acid (1RS,3RS,4RS)-4-amino-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl ester

C17H25NO4

PRODUCTS

产物

HCID67022608

acetic acid (1RS,3RS,4RS)-4-{[1-(2,6-dimethoxy-pyridin-3-yl)methanoyl]amino}-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl ester

C25H32N2O7

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9ed18b9c97bf49c5a1c7b55e9d7e7a91
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:15]([N:16]=[C:17]=[N:18][CH2:19][CH2:20][CH2:21][N:22]([CH3:23])[CH3:24])[CH3:25].[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]([O:12][CH3:13])[n:11]1.[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[Cl:57][CH2:58][Cl:59].[ClH:14].[NH2:26][CH:27]1[CH:28]([c:37]2[cH:38][c:39]([O:45][CH2:46][CH3:47])[c:40]([O:43][CH3:44])[cH:41][cH:42]2)[CH2:29][CH:30]([O:33][C:34]([CH3:35])=[O:36])[CH2:31][CH2:32]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[NH:26][CH:27]2[CH:28]([c:37]3[cH:38][c:39]([O:45][CH2:46][CH3:47])[c:40]([O:43][CH3:44])[cH:41][cH:42]3)[CH2:29][CH:30]([O:33][C:34]([CH3:35])=[O:36])[CH2:31][CH2:32]2)[cH:8][cH:9][c:10]([O:12][CH3:13])[n:11]1