HRID321765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID12631721

未命名化合物

结构：Cc1cc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc(Cl)n2n1

HCID86652271

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc(N3CCC(NC(N)=O)CC3)n2n1

HCID67064143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a32423a3adcf41dbb2bb0509cffd4569
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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