HRID2322972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID12719848

1-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

C12H12F3N

HCID59242785

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1cn(CCCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)c(=O)nc1-c1cccnc1

HCID178430500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e899080f3134616a3518c2a4b375c93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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