HRID92997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6212

Chloroform

CHCl3

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID122573

3,5-Bis(trifluoromethyl)benzyl bromide

C9H5BrF6

HCID16757255

2-methyl-N-[3-(4-piperidyl)phenyl]propanamide

C15H22N2O

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1

HCID22048609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7baec90118f14966b0e941969e3d3e57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[CH3:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]([CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1)[CH3:18].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:63][CH:64]([Cl:65])[Cl:66].[F:19][C:20]([c:21]1[cH:22][c:23]([CH2:24][Br:25])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34].[I-:45].[NH3:44].[O:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1>>[CH3:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]([CH:12]2[CH2:13][CH2:14][N:15]([CH2:24][c:23]3[cH:22][c:21]([C:20]([F:19])([F:33])[F:34])[cH:28][c:27]([C:29]([F:30])([F:31])[F:32])[cH:26]3)[CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1)[CH3:18]