HRID175645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(CC(=O)N4CCC5(CC4)CCN(C(=O)OC(C)(C)C)C5)cc32)c(C)c1

HCID59483808

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(CC(=O)N4CCC5(CCNC5)CC4)cc32)c(C)c1

HCID59483852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f6b37d55c514500be2d0b0346a80cae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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