HRID1141261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID549255

未命名化合物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(OS(=O)(=O)C(F)(F)F)cc1OCC2

HCID58204987

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CC=CC3C(N)=O)cc1OCC2

HCID178456678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3980dd2f8f1c4823be6410d0d6ecc01f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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