HRID108660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID2737134

1-(1-Phenylethyl)piperazine

C12H18N2

HCID44610161

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)N1CCN(c2ccnc3ccc(-c4cnc(Cl)c(N(C)C)c4)cc23)CC1

HCID44610315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a457ce7409b4346b1f6abe30a3ce012
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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