HRID1213595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID95556

2,2,2-Trifluoro-1-phenylethanol

C8H7F3O

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(OC(c4ccccc4)C(F)(F)F)n3)CC2C1

HCID67265654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e3a702cff4346138d4b122a08731a13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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