HRID696657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID284342

2-(methylsulfonyl)benzoic acid

C8H8O4S

HCID10921653

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2ccccc2S(C)(=O)=O)Cc2ccccc2C1

HCID59314139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba769777468c4f9fae89bd016aa0a3c1
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

[CH2:38]([CH3:39])[O:40][C:41](=[O:42])[C:43]1([NH2:52])[CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[CH2:51]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12][cH:13]1.[CH3:62][OH:63].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[Cl:64][CH2:65][Cl:66].[Cl:67][CH2:68][Cl:69].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:7](=[O:9])[NH:52][C:43]2([C:41]([O:40][CH2:38][CH3:39])=[O:42])[CH2:44][c:45]3[cH:46][cH:47][cH:48][cH:49][c:50]3[CH2:51]2)[cH:10][cH:11][cH:12][cH:13]1