HRID1136860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID4156937

未命名化合物

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：CNC(=O)C1CCCN(c2cc(NC(=O)c3ccc(C(C)(C)O)cc3)nc3cc(C)nn23)C1

HCID67064403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d02b0405bfe54c49a834bcfb454429e2
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

[CH3:25][NH:26][C:27](=[O:28])[CH:29]1[CH2:30][NH:31][CH2:32][CH2:33][CH2:34]1.[CH3:35][N:36]1[CH2:37][CH2:38][CH2:39][C:40]1=[O:41].[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][OH:47].[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>>[c:2]1([N:31]2[CH2:30][CH:29]([C:27]([NH:26][CH3:25])=[O:28])[CH2:34][CH2:33][CH2:32]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