HRID1536408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID76992

Mesitylene-2-sulphonic acid

C9H12O3S

HCID10144351

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

产物

HCID76992

Mesitylene-2-sulphonic acid

C9H12O3S

HCID9970422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cf52e597fc494b61bc3f93cea8b4b9ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19]([NH:20][CH2:21][CH2:22][N:23]1[CH2:24][CH:25]2[CH2:26][N:27]([CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:28][CH:29]([CH2:30]1)[O:31]2)=[O:39].[CH3:1][c:2]1[c:3]([S:10](=[O:11])(=[O:12])[OH:13])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[CH:40]([OH:41])([CH3:42])[CH3:43].[H:44][H:45].[OH2:46]>>[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19]([NH:20][CH2:21][CH2:22][N:23]1[CH2:24][CH:25]2[CH2:26][NH:27][CH2:28][CH:29]([CH2:30]1)[O:31]2)=[O:39].[CH3:1][c:2]1[c:3]([S:10](=[O:11])(=[O:12])[OH:13])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1