HRID688989

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

HCID2795444

1-benzothiophene-5-carboxylic acid

C9H6O2S

HCID10921653

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2ccc3sccc3c2)Cc2ccccc2C1

HCID59314083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4df19b231c0c4af29ef028e97499cf59
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

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