HRID208419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)c1ccc(C2CCC(N(Cc3ccccc3)CC(O)COc3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)CC2)cc1

HCID58382930

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1cc(OCC(O)CN(Cc2ccccc2)C2CCC(c3ccc(C(=O)O)cc3)CC2)ccc1OCc1ccccc1

HCID178505070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45266ed337c0463c9ee2ecba31a4c52d
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25]2)[CH2:13][CH2:14]1)[CH2:26][CH:27]([CH2:28][O:29][c:30]1[cH:31][c:32]([NH:44][S:45](=[O:46])(=[O:47])[CH3:48])[c:33]([O:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:34][cH:35]1)[OH:49].[CH3:52][CH2:53][OH:54].[Na+:51].[OH-:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:24][cH:25]2)[CH2:13][CH2:14]1)[CH2:26][CH:27]([CH2:28][O:29][c:30]1[cH:31][c:32]([NH:44][S:45](=[O:46])(=[O:47])[CH3:48])[c:33]([O:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:34][cH:35]1)[OH:49]