HRID197483

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

HCID2794574

5-Chloro-benzo[b]thiophene-3-carboxylic acid

C9H5ClO2S

HCID10921653

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2csc3ccc(Cl)cc23)Cc2ccccc2C1

HCID59314182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57fa6fe49bfc42a8ab4a17f3b9d457e7
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

[CH2:47]([CH3:48])[O:49][C:50](=[O:51])[C:52]1([NH2:61])[CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[CH2:60]1.[CH3:62][OH:63].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6][cH:7][c:8]2[C:9](=[O:10])[OH:11])[cH:12][cH:13]1.[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>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6][cH:7][c:8]2[C:9](=[O:11])[NH:61][C:52]2([C:50]([O:49][CH2:47][CH3:48])=[O:51])[CH2:53][c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]3[CH2:60]2)[cH:12][cH:13]1