HRID1239422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3297

未命名化合物

HCID6422

未命名化合物

HCID6457

Benzenemethanol, .alpha.,.alpha.-diphenyl-

C19H16O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

PRODUCTS

生成物

结构：CCOC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID420554

NSC124674

C24H25NO2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c20e6217910a4be69af05ae80c4e7abc
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

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