HRID92721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CN(CCO)C(=O)OC(C)(C)C)[nH]c2c1

HCID23152791

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CN(CCOS(C)(=O)=O)C(=O)OC(C)(C)C)[nH]c2c1

HCID23152774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83c96b231cdf4c9682700ceb3244fb76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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