HRID196133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID13592063

未命名化合物

HCID13652735

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C2Sc3cc(C)ccc3N(CCN(C)C(=O)OCc3ccccc3)C(=O)C2O)cc1

HCID23318060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07a7d749db144173bc50d57930608d36
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

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