HRID303704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

结构：CCCCCCCOc1ccc(CCC(C)(CO)NC(=O)OC(C)(C)C)cc1

HCID58972210

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCOc1ccc(CCC2(C)COS(=O)N2C(=O)OC(C)(C)C)cc1

HCID68583894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c3a437ead8f494fbdca7f68db4588ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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