HRID121687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N)cc2)CC1

HCID2763355

tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate

C16H23N3O3

HCID23527396

2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H7BrF6O

PRODUCTS

生成物

结构：Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1

HCID86638547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00777b1d0e434a2dba64007a96079f3e
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

[Br:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([C:38]([C:39]([F:40])([F:41])[F:42])([C:43]([F:44])([F:45])[F:46])[OH:47])[cH:36][cH:37]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:57][C:58]#[N:59].[Cl:54][CH2:55][Cl:56].[K+:52].[K+:53].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:12][CH2:13]2)[cH:21][cH:22]1.[OH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29]>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:32]3[cH:33][cH:34][c:35]([C:38]([C:39]([F:40])([F:41])[F:42])([C:43]([F:44])([F:45])[F:46])[OH:47])[cH:36][cH:37]3)[CH2:12][CH2:13]2)[cH:21][cH:22]1