HRID2131533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COC(=O)Cc1cccc(NC(=O)NCC(=O)N2C(C(=O)OC(C)(C)C)CCC2c2ccccc2)c1

HCID76497815

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1

HCID19968024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29ad67bb91794a9f945d6ed5aff41a00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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