HRID1212331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：Cn1c(Br)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1

HCID10068778

未命名化合物

PRODUCTS

生成物

结构：Cn1c(-c2ccncc2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1

HCID10091475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ddde322234a470f8d6fe8a3db2f9fb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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