HRID684131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID28486

Lithium ion

Li+

结构：CCOC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1

HCID14986718

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1

HCID10321764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80a84d582bd5425e879f8096ba070fb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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