HRID1215498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID57571775

1-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

C12H11F4N

HCID59337593

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3F)C2)cc1-c1cccs1

HCID178518754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab9ccc9c128b4d7d969f87fb9697273e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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