HRID1116951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID522721

3,5-Difluorobenzyl alcohol

C7H6F2O

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(OCc4cc(F)cc(F)c4)n3)CC2C1

HCID67265836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d30fa61ee7a44e9a088e47191483f15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:11][C:12]([CH3:13])([O-:14])[CH3:15].[CH3:39][S:40]([CH3:41])=[O:42].[CH3:43][OH:44].[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][c:4]([CH2:5][OH:6])[cH:7][c:8]([F:10])[cH:9]1.[K+:16]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][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:7][c:8]([F:10])[cH:9]1