HRID1135406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID2761150

4-(5-Phenyl-1,3,4-oxadiazol-2-yl)piperidine

C13H15N3O

HCID86245257

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(NC(=O)N2CCC(c3nnc(-c4ccccc4)o3)CC2)c1C

HCID59594508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50b4065bed9845ebb504ba856c700c02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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