HRID2346059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID82068

4-Fluorophenethylic alcohol

C8H9FO

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(Cl)n3)CC2C1

HCID87330597

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(OCCc4ccc(F)cc4)n3)CC2C1

HCID67265933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bce3c579b374a7d962ad5f6f18db1f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:11][C:12]([CH3:13])([O-:14])[CH3:15].[CH3:39][S:40]([CH3:41])=[O:42].[Cl:17][c:18]1[cH:19][n:20][cH:21][c:22]([N:24]2[CH2:25][CH:26]3[CH:27]([CH2:28]2)[CH2:29][N:30]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31]3)[n:23]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][OH:8])[cH:9][cH:10]1.[K+:16]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][O:8][c:18]2[cH:19][n:20][cH:21][c:22]([N:24]3[CH2:25][CH:26]4[CH:27]([CH2:28]3)[CH2:29][N:30]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31]4)[n:23]2)[cH:9][cH:10]1