HRID88930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)CCc1ccc(Oc2ccc(CC(NS(=O)(=O)c3ccc(C)cc3)C(=O)N(C)C)cc2)cc1

HCID69113757

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)NC(Cc2ccc(Oc3ccc(CCC(=O)O)cc3)cc2)C(=O)N(C)C)cc1

HCID15982578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6a190afe5284deb9499300f13750f0d
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

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