HRID177989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID2756712

1-biphenyl-3-yl-piperazine

C16H18N2

HCID68575380

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnc1)N1CCN(c2cccc(-c3ccccc3)c2)CC1

HCID16113826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a5c7ceaf06648788fc50f7f1b9c20c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:44][S:45]([CH3:46])=[O:47].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[OH2:43].[c:16]1(-[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:17][c:18]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:19][cH:20][cH:21]1.[n:1]1[cH:2][c:3]([NH:7][C:8]([O:9][CH2:10][C:11]([Cl:12])([Cl:13])[Cl:14])=[O:15])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([NH:7][C:8](=[O:15])[N:25]2[CH2:24][CH2:23][N:22]([c:18]3[cH:17][c:16](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:21][cH:20][cH:19]3)[CH2:27][CH2:26]2)[cH:4][cH:5][cH:6]1