HRID1234381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)ccc23)CC1

HCID59551736

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(OCCO)ccc23)CC1

HCID59551768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a418dfcd7d64928899697856d25b40a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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