HRID142798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID14664186

2,2-Dimethylpiperazine

C6H14N2

结构：COc1cc(CCc2cc(NC(=O)c3ccc(F)cc3)[nH]n2)cc(OC)c1

HCID178489757

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3ccc(N4CCNC(C)(C)C4)cc3)[nH]n2)cc(OC)c1

HCID178489775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b2af8ed136648f09b5794e53f3966f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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