HRID2140372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID70683

Ethyl 2-methylalaninate

C6H13NO2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CCOc1ccc2c(c1)n(C1CCCCC1)c(=O)n2S(=O)(=O)c1ccc(C(=O)O)cc1OC

HCID15229042

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)n2c(=O)n(C3CCCCC3)c3cc(OCC)ccc32)c(OC)c1

HCID15231554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e0a6ad592e5c4aaa89b88d57a5853cde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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