HRID179841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2763173

Indole-4-boronic acid

C8H8BNO2

结构：O=[N+]([O-])c1cc(Br)cc2nn(C3CCCCO3)cc12

HCID58255818

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc(-c2cccc3[nH]ccc23)cc2nn(C3CCCCO3)cc12

HCID58268008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a524c8e624d0472a888e6a57bbebce4e
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

[Br:1][c:2]1[cH:3][c:4]([N+:17](=[O:18])[O-:19])[c:5]2[cH:6][n:7]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[n:8][c:9]2[cH:10]1.[C:32](=[O:33])([O-:34])[OH:35].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:37]([OH:38])([CH3:39])[CH3:40].[Na+:36].[OH2:47].[nH:20]1[cH:21][cH:22][c:23]2[c:24]([B:29]([OH:30])[OH:31])[cH:25][cH:26][cH:27][c:28]12>>[c:2]1(-[c:24]2[c:23]3[cH:22][cH:21][nH:20][c:28]3[cH:27][cH:26][cH:25]2)[cH:3][c:4]([N+:17](=[O:18])[O-:19])[c:5]2[cH:6][n:7]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[n:8][c:9]2[cH:10]1