HRID1574747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID14664186

2,2-Dimethylpiperazine

C6H14N2

结构：COc1cc(CCc2cc(NC(=O)c3cnc(Cl)cn3)[nH]n2)cc(OC)c1

HCID178489782

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3cnc(N4CCNC(C)(C)C4)cn3)[nH]n2)cc(OC)c1

HCID178489807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-985ab8e3155b4e1aaa8b838a011638ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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