HRID2142991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID58182733

1-[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]piperazine

C13H14FN3S

HCID68576698

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnn1)N1CCN(c2nc(-c3ccccc3F)cs2)CC1

HCID68777434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ea2b5947130406ea02093d09666d8c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[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].[F:16][c:17]1[c:18](-[c:23]2[n:24][c:25]([N:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[s:26][cH:27]2)[cH:19][cH:20][cH:21][cH:22]1.[OH2:43].[n:1]1[n:2][c:3]([NH:7][C:8]([O:9][CH2:10][C:11]([Cl:12])([Cl:13])[Cl:14])=[O:15])[cH:4][cH:5][cH:6]1>>[n:1]1[n:2][c:3]([NH:7][C:8](=[O:15])[N:31]2[CH2:30][CH2:29][N:28]([c:25]3[n:24][c:23](-[c:18]4[c:17]([F:16])[cH:22][cH:21][cH:20][cH:19]4)[cH:27][s:26]3)[CH2:33][CH2:32]2)[cH:4][cH:5][cH:6]1