HRID166197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914563

未命名化合物

HCID59127380

未命名化合物

PRODUCTS

生成物

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(NC3CC3)noc2c1

HCID59127377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a0ea5053da34b5f8afc52f4e467df1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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