HRID289920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID712468

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

C13H15N3S

HCID68777877

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2nccn2n1)N1CCN(c2nc(-c3ccccc3)cs2)CC1

HCID68778080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b69d89559c064b57abb6bac2fedce0f6
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

[CH3:46][S:47]([CH3:48])=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[OH2:45].[c:19]1(-[c:25]2[n:26][c:27]([N:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[s:28][cH:29]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1.[n:1]1[cH:2][cH:3][n:4]2[n:5][c:6]([NH:10][C:11]([O:12][CH2:13][C:14]([Cl:15])([Cl:16])[Cl:17])=[O:18])[cH:7][cH:8][c:9]12>>[n:1]1[cH:2][cH:3][n:4]2[n:5][c:6]([NH:10][C:11](=[O:18])[N:33]3[CH2:32][CH2:31][N:30]([c:27]4[n:26][c:25](-[c:19]5[cH:20][cH:21][cH:22][cH:23][cH:24]5)[cH:29][s:28]4)[CH2:35][CH2:34]3)[cH:7][cH:8][c:9]12