HRID679981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24813

Phosphoric trichloride

Cl3OP

结构：O=CNC(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1

HCID86613062

未命名化合物

PRODUCTS

生成物

结构：[C-]#[N+]C(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1

HCID59458753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4699c3e0e3344d9bfd7beca3ead7a6a
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

[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:47][C:48]#[N:49].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][c:9]1[cH:10][c:11]([CH:19]([NH:20][CH:21]=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1.[OH2:50].[P:37]([Cl:38])([Cl:39])([Cl:40])=[O:41]>>[F:8][c:9]1[cH:10][c:11]([CH:19]([N+:20]#[C-:21])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1