HRID157325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

结构：C[Si](C)(C)C#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

HCID71539733

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

HCID71539732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bd165e63ae74c50923ee2211a8ebdf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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