HRID288862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID10898

2-Bromo-1-ethanol

C2H5BrO

HCID19660

Carbonate

CO3-2

结构：Cc1ccccc1-c1cc(N2CCNCC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID10280286

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1cc(N2CCN(CCO)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID9938188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbde85993f3b4a3597b92ce71273c1c2
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

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