HRID689453

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

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734624

4-Hydroxyphenylboronic acid pinacol ester

C12H17BO3

反应SMILES：NS(=O)(=O)c1ccc(CNc2nccn3c(Br)cnc23)cc1

HCID58337155

未命名化合物

PRODUCTS

产物

反应SMILES：NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1

HCID135931641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-525d97ea98e64aedb67d3c4e301d416f
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

[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[cH:7][cH:8][n:9][c:10]2[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]2)[O:38]1.[Na+:43].[Na+:44].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45].[Pd+2:51]>>[c:2]1(-[c:31]2[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]2)[cH:3][n:4][c:5]2[n:6]1[cH:7][cH:8][n:9][c:10]2[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]1