HRID1541628

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+

HCID2776398

3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid

C9H11BO4

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)OCCCO4)n2n1

HCID67064552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8957b212115d40e89baf19ef8b8057a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[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].[O:25]1[c:26]2[c:27]([cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]2)[O:28][CH2:29][CH2:30][CH2:31]1>>[c:2]1(-[c:33]2[cH:32][c:27]3[c:26]([cH:35][cH:34]2)[O:25][CH2:31][CH2:30][CH2:29][O:28]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