HRID1569582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID2760954

4-(tert-Butoxycarbonyl)benzoic acid

C12H14O4

HCID3549191

Propane-2-sulfonamide

C3H9NO2S

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1

HCID19810407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-278146f9084e4985bc26b57d14dde7c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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