HRID94848

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

HCID68777403

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cnccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1

HCID44562183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aa8c22c68d54b14b0e1403d4ad002ee
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

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