HRID88005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID2777760

3-Phenyl-5-piperazino-1,2,4-thiadiazole

C12H14N4S

HCID86625506

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)n(C)n1

HCID68777879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ea804b183c245b78027251a75266b66
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

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