HRID115967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3783165

1,1,1-Trifluoro-2-propanamine

C3H6F3N

结构：Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2Cl)c(F)c1

HCID11045387

[1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-dichloro-6-(2,4,6-trifluorophenyl)-

C11H3Cl2F3N4

PRODUCTS

生成物

结构：CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)C(F)(F)F

HCID9843657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-833da28719b145588087a3a3f68cf70d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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