HRID177927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID8471

Triethylamine

C6H15N

HCID18801884

未命名化合物

HCID178520380

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)c1cccc(C(=O)C(C(=O)c2cc(F)cc(F)c2)=C2Nc3ccccc3N2)c1

HCID178486136

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85c921b6ef35409b8775555bba8eb416
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[Cl:11])[cH:12][cH:13][cH:14]1)[CH3:15].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[F:16][c:17]1[cH:18][c:19]([C:24]([CH:25]=[C:26]2[NH:27][c:28]3[c:29]([cH:31][cH:32][cH:33][cH:34]3)[NH:30]2)=[O:35])[cH:20][c:21]([F:23])[cH:22]1.[OH2:52]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[C:25]([C:24]([c:19]2[cH:18][c:17]([F:16])[cH:22][c:21]([F:23])[cH:20]2)=[O:35])=[C:26]2[NH:27][c:28]3[c:29]([cH:31][cH:32][cH:33][cH:34]3)[NH:30]2)[cH:12][cH:13][cH:14]1)[CH3:15]