HRID290718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID600848

4-Trifluoromethoxyaniline

C7H6F3NO

HCID59021481

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)Oc1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1

HCID12004156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b3d439e9cc54117a68c9a968e4a6959
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

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