HRID690326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID78623

N,N-Dimethylformamide dineopentyl acetal

C13H29NO2

HCID1550489

Pyrimidine-2-thiol

C4H4N2S

结构：CC(=O)NCC1CN(c2ccc(-n3cnc(CO)c3)c(F)c2)C(=O)O1

HCID18378806

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC1CN(c2ccc(-n3cnc(CSc4ncccn4)c3)c(F)c2)C(=O)O1

HCID9824616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2c70888db8f4413a41edd3ebe20ba35
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

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