HRID211159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734361

Indole-5-boronic acid

C8H8BNO2

反应SMILES：COc1cc[nH]c1C=C1C(=O)Nc2ccc([N+](=O)[O-])c(Br)c21

HCID54419478

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc[nH]c1C=C1C(=O)Nc2ccc([N+](=O)[O-])c(-c3ccc4[nH]ccc4c3)c21

HCID54167221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a88333aa05e64e7fbb25f630d6d0a5b0
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[c:3]2[c:7]([cH:8][cH:9][c:10]1[N+:11](=[O:12])[O-:13])[NH:6][C:5](=[O:14])[C:4]2=[CH:15][c:16]1[nH:17][cH:18][cH:19][c:20]1[O:21][CH3:22].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46].[nH:23]1[cH:24][cH:25][c:26]2[cH:27][c:28]([B:32]([OH:33])[OH:34])[cH:29][cH:30][c:31]12>>[c:2]1(-[c:28]2[cH:27][c:26]3[cH:25][cH:24][nH:23][c:31]3[cH:30][cH:29]2)[c:3]2[c:7]([cH:8][cH:9][c:10]1[N+:11](=[O:12])[O-:13])[NH:6][C:5](=[O:14])[C:4]2=[CH:15][c:16]1[nH:17][cH:18][cH:19][c:20]1[O:21][CH3:22]