HRID311068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID12719848

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

C12H12F3N

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)cc3)C2)cc1-c1cccs1

HCID178518746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d54f0e2b49f48bbb2fba1be300abed6
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

[Cl-:36].[Cl:17][CH2:18][CH2:19][CH2:20][n:21]1[c:22](=[O:33])[nH:23][c:24](=[O:32])[c:25](-[c:27]2[s:28][cH:29][cH:30][cH:31]2)[cH:26]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]23[CH2:10][NH:11][CH2:12][CH:13]2[CH2:14]3)[cH:7][cH:8]1)([F:15])[F:16].[I-:34].[NH4+:37].[Na+:35].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[ClH:17].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]23[CH2:10][N:11]([CH2:18][CH2:19][CH2:20][n:21]4[c:22](=[O:33])[nH:23][c:24](=[O:32])[c:25](-[c:27]5[s:28][cH:29][cH:30][cH:31]5)[cH:26]4)[CH2:12][CH:13]2[CH2:14]3)[cH:7][cH:8]1)([F:15])[F:16]