HRID96393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID23527396

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

C10H7BrF6O

HCID64322197

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1Cl

HCID86638551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c12caca0a37c4cd8b8a399748883b83f
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:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([C:30]([F:31])([F:32])[F:33])[OH:34])[cH:23][cH:24]1.[CH3:42][C:43]#[N:44].[I-:41].[NH2:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:6][cH:7]1.[Na+:35].[Na+:40].[OH:36][C:37](=[O:38])[O-:39]>>[NH2:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([CH2:18][c:19]3[cH:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([C:30]([F:31])([F:32])[F:33])[OH:34])[cH:23][cH:24]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1