HRID680763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2760459

N-(2-hydroxyethyl)piperidine-3-carboxamide

C8H16N2O2

结构：Cc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(Cl)n2n1

HCID86652267

N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide

C17H17ClN4O2

PRODUCTS

生成物

结构：Cc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCCC(C(=O)NCCO)C3)n2n1

HCID67064719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-586f9d300501417ead70617cc5abcbda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:51][S:52]([CH3:53])=[O:54].[CH3:55][OH:56].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][c:4]([NH:12][C:13]([c:14]2[cH:15][cH:16][c:17]([C:20]([CH3:21])([CH3:22])[OH:23])[cH:18][cH:19]2)=[O:24])[n:5][c:6]2[n:7]1[n:8][c:9]([CH3:11])[cH:10]2.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:25][CH2:26][CH2:27][NH:28][C:29](=[O:30])[CH:31]1[CH2:32][NH:33][CH2:34][CH2:35][CH2:36]1>>[c:2]1([N:33]2[CH2:32][CH:31]([C:29]([NH:28][CH2:27][CH2:26][OH:25])=[O:30])[CH2:36][CH2:35][CH2:34]2)[cH:3][c:4]([NH:12][C:13]([c:14]2[cH:15][cH:16][c:17]([C:20]([CH3:21])([CH3:22])[OH:23])[cH:18][cH:19]2)=[O:24])[n:5][c:6]2[n:7]1[n:8][c:9]([CH3:11])[cH:10]2