HRID1147731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID11251

3-Methyl-2-butanone

C5H10O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID81093

Hexanenitrile, 6-bromo-

C6H10BrN

反应SMILES：Fc1ccc(-n2c3c(c4cc(F)ccc42)CNCC3)cc1

HCID12629906

8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C17H14F2N2

PRODUCTS

产物

反应SMILES：N#CCCCCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1

HCID12855286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-05e5e0abf8984cd2976e9f3d91d1059f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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