HRID681427

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+

HCID50878574

(4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)boronic acid

C9H12BNO3

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(-c3ccc4c(c3)OCCN4C)n2n1

HCID44251165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da5817fd580e4cb78744deb87d96056a
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

[CH3:25][N:26]1[c:27]2[c:28]([cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]2)[O:29][CH2:30][CH2:31]1.[CH3:44][OH: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.[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[c:2]1(-[c:33]2[cH:32][c:28]3[c:27]([cH:35][cH:34]2)[N:26]([CH3:25])[CH2:31][CH2:30][O:29]3)[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