HRID184376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID22064934

2-(Piperidin-4-yl)acetamide

C7H14N2O

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(N3CCC(CC(N)=O)CC3)n2n1

HCID67064737

1-[5-[[4-(1-Hydroxy-1-methylethyl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-4-piperidineacetamide

C24H30N6O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29654c7c119f46288a87dafaa596f8ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:50][S:51]([CH3:52])=[O:53].[CH3:54][OH:55].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[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.[ClH:25].[NH:26]1[CH2:27][CH2:28][CH:29]([CH2:32][C:33](=[O:34])[NH2:35])[CH2:30][CH2:31]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[c:2]1([N:26]2[CH2:27][CH2:28][CH:29]([CH2:32][C:33](=[O:34])[NH2:35])[CH2:30][CH2:31]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