HRID1150865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID712468

1-(4-Phenyl-1,3-thiazol-2-yl)piperazine

C13H15N3S

HCID86625494

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ncc(NC(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)cn1

HCID68779904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-451bf5f04ddc41ec891087bdc3de2a9a
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

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