HRID177068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6395

Methanesulfonic acid

CH4O3S

结构：CCN(CC)CCOc1ccc(O)c(C(=O)Nc2cc(-c3ccccc3)ccc2C(=O)O)c1

HCID58508815

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID58508815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-120eea541009436cb5a0c4fbeb955056
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

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