HRID312236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID44627994

未命名化合物

HCID57571775

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

C12H11F4N

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(F)(F)F)cc3F)C2)n1C

HCID24743758

5-[5-[3-[1-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole

C22H23F4N5OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dd301dfcf56449d85123565a81994a8
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

[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:18][CH2:19][CH2:20][CH2:21][S:22][c:23]1[n:24][n:25][c:26](-[c:29]2[c:30]([CH3:34])[n:31][cH:32][o:33]2)[n:27]1[CH3:28].[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.[I-:41].[K+:35].[K+:36].[Na+:42].[O-:37][C:38]([O-:39])=[O:40].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[ClH:18].[F:1][c:2]1[c:3]([C:12]23[CH2:13][N:14]([CH2:19][CH2:20][CH2:21][S:22][c:23]4[n:24][n:25][c:26](-[c:29]5[c:30]([CH3:34])[n:31][cH:32][o:33]5)[n:27]4[CH3:28])[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