HRID159049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID597703

2-Difluoromethyl-1H-benzoimidazole

C8H6F2N2

HCID12069231

8-OXA-3-AZABICYCLO[3.2.1]OCTANE

C6H11NO

结构：Clc1nc(N2CC3CCC(C2)O3)nc(N2CC3CCC(C2)O3)n1

HCID57998273

未命名化合物

PRODUCTS

生成物

结构：FC(F)c1nc2ccccc2n1-c1nc(N2CC3CCC(C2)O3)nc(N2CC3CCC(C2)O3)n1

HCID46884782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a2cc886b3d64dd0b3042fd5dba22986
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

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