HRID95706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID24208798

2-[(Propan-2-yl)oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C14H22BNO3

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(-c3ccc(OC(C)C)nc3)n2n1

HCID67064843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c599974faa14784b1c7fa43a39ce7a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:49][OH:50].[CH:25]([CH3:26])([CH3:27])[O:28][c:29]1[n:30][cH:31][c:32]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:33][cH:34]1.[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.[Na+:48].[O-:44][C:45]([OH:46])=[O:47]>>[c:2]1(-[c:32]2[cH:31][n:30][c:29]([O:28][CH:25]([CH3:26])[CH3:27])[cH:34][cH:33]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