HRID294346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID22506610

{4-[(Dimethylamino)methyl]phenyl}boronic acid

C9H14BNO2

结构：Cc1cc(C)c(CNC(=O)c2cc(Br)cc(N(C)C3CCCCC3)c2C)c(=O)[nH]1

HCID66575764

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(N(C)C3CCCCC3)c2C)c(=O)[nH]1

HCID70872423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ab9784e411845b4b75423985e14ce09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[C:43](=[O:44])([O-:45])[O-:46].[CH3:30][N:31]([CH3:32])[CH2:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[Na+:47].[Na+:48].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:49].[OH2:56]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([CH2:33][N:31]([CH3:30])[CH3:32])[cH:39][cH:38]2)[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1