HRID694114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

HCID59233792

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccccc2)nn2cc(-c3ccccc3OC)ccc12

HCID59233722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df857abf04574a258ccac3f633f05ab6
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

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