HRID112662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID1445156

4-Acetamidopiperidine

C7H14N2O

结构：Cc1cc2nc(NC(=O)C3CC3c3ccccc3)cc(Cl)n2n1

HCID86652269

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CCN(c2cc(NC(=O)C3CC3c3ccccc3)nc3cc(C)nn23)CC1

HCID67064404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a95694d1c494647996275083019dd57
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

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