HRID681698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID947

Nitrogen

HCID31275

1,4-Dioxane

C4H8O2

HCID599474

Isoquinoline-5-boronic acid

C9H8BNO2

结构：Cc1cc(NC(=O)c2c(C)n(CC(C)(C)O)n(-c3ccccc3)c2=O)ccc1Br

HCID59383945

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)c2c(C)n(CC(C)(C)O)n(-c3ccccc3)c2=O)ccc1-c1cccc2cnccc12

HCID24998963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60d8072d21314c16aff687bc77e484c6
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

[Br:14][c:15]1[c:16]([CH3:42])[cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]2[c:25](=[O:41])[n:26](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[n:27]([CH2:30][C:31]([CH3:32])([CH3:33])[OH:34])[c:28]2[CH3:29])[cH:19][cH:20]1.[N:48]#[N:49].[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([B:11]([OH:12])[OH:13])[cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6](-[c:15]3[c:16]([CH3:42])[cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]4[c:25](=[O:41])[n:26](-[c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[n:27]([CH2:30][C:31]([CH3:32])([CH3:33])[OH:34])[c:28]4[CH3:29])[cH:19][cH:20]3)[cH:7][cH:8][cH:9][c:10]12