HRID194628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)c1ccc(CN(C(C(=O)OC(C)(C)C)C(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1

HCID69451351

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)O)cc2)C(C(=O)OC(C)(C)C)C(C)C)cc1

HCID69446836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05adb5b08c454d95af078deffe9b115e
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

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