HRID160577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

结构：CCCCCCCCN1CCc2c(C)c(NS(=O)(=O)NC(=O)OC(C)(C)C)c(C)c(NC(=O)C(C)(C)C)c21

HCID23075439

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCCCCCN1CCc2c(C)c(NS(N)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21

HCID10456551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67d0a7229094423ebb608f12e0dff38f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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