HRID811896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24813

Phosphoric trichloride

Cl3OP

结构：O=CNC(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1

HCID72456972

未命名化合物

PRODUCTS

生成物

结构：[C-]#[N+]C(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1

HCID72291081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e4648ae459c4d0a8154d8ff3826dde4
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH3:61][OH:62].[Cl:52][CH2:53][Cl:54].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][c:9]1[cH:10][c:11]([C:22]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)([c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[NH:37][CH:38]=[O:39])[cH:12][c:13]([O:15][C:16]([CH:17]([F:18])[F:19])([F:20])[F:21])[cH:14]1.[OH2:63].[P:47]([Cl:48])([Cl:49])([Cl:50])=[O:51]>>[F:8][c:9]1[cH:10][c:11]([C:22]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)([c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[N+:37]#[C-:38])[cH:12][c:13]([O:15][C:16]([CH:17]([F:18])[F:19])([F:20])[F:21])[cH:14]1