HRID88412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1-c1ccc(CC(C)C)cc1

HCID21186239

未命名化合物

PRODUCTS

生成物

结构：COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)C)cc1

HCID9822972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-589957272c7048b3941f5e9cd9685c82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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