HRID285280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID7237

o-Xylene

C8H10

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID766140

5-(4-Fluorophenyl)-1H-tetrazole

C7H5FN4

HCID23146274

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(-c2nnn(CC3CCCCN3Cc3ccccc3)n2)cc1

HCID67158567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12fa03cd21bd445698b9a6c65d6d044b
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

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