HRID2148861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID3826051

未命名化合物

结构：COC(=O)c1nc(N(C)S(=O)(=O)CCCCCNC(=O)OC(C)(C)C)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1

HCID86667514

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(N(C)S(=O)(=O)CCCCCNC(=O)OC(C)(C)C)c2cccnc2c1O

HCID67109690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77f3ef7693de42ae966a8178fab96c2b
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])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][S:14](=[O:15])(=[O:16])[N:17]([CH3:18])[c:19]1[c:20]2[cH:21][cH:22][cH:23][n:24][c:25]2[c:26]([O:33][S:34]([c:35]2[cH:36][cH:37][c:38]([CH3:39])[cH:40][cH:41]2)(=[O:42])=[O:43])[c:27]([C:29](=[O:30])[O:31][CH3:32])[n:28]1.[CH3:44][O-:45].[CH3:47][OH:48].[CH3:49][C:50](=[O:51])[OH:52].[Na+:46].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][S:14](=[O:15])(=[O:16])[N:17]([CH3:18])[c:19]1[c:20]2[cH:21][cH:22][cH:23][n:24][c:25]2[c:26]([OH:33])[c:27]([C:29](=[O:30])[O:31][CH3:32])[n:28]1