HRID302819

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

结构：CC(=O)N(C)c1ccc(NC(=O)OCC(Cl)(Cl)Cl)cn1

HCID86625492

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C)c1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)cn1

HCID68778604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b116e9efc434bf59942ef2d9218b4d9
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

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