HRID151224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：C=CCOCc1csc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12

HCID22574355

未命名化合物

PRODUCTS

生成物

结构：C=CCOCc1c(C=O)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12

HCID22574392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4460a992ae27459e95d150cccc065787
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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