HRID320410

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

HCID86625476

未命名化合物

PRODUCTS

生成物

结构：Cn1c(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)nc2ccccc21

HCID68779655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a403215686a49cc8d5e46e5634ae47a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][n:2]1[c:3]([NH:11][C:12]([O:13][CH2:14][C:15]([Cl:16])([Cl:17])[Cl:18])=[O:19])[n:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[CH3:47][S:48](=[O:49])[CH3:50].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[OH2:46].[c:20]1(-[c:26]2[n:27][s:28][c:29]([N:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[n:30]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:1][n:2]1[c:3]([NH:11][C:12](=[O:19])[N:34]2[CH2:33][CH2:32][N:31]([c:29]3[s:28][n:27][c:26](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:30]3)[CH2:36][CH2:35]2)[n:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2