HRID700637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

HCID23078361

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3cc(C)c(C)cc3-c3cccnc3)c2cc1OC

HCID23078273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78f9924fcc4f448c8cc3d87631c31169
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

[C:34](=[O:35])([O-:36])[O-:37].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[I:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][n:8][c:9]3[cH:10][c:11]([O:17][CH3:18])[c:12]([O:15][CH3:16])[cH:13][c:14]23)[cH:19][c:20]([CH3:24])[c:21]([CH3:23])[cH:22]1.[K+:38].[K+:39].[OH2:40].[n:25]1[cH:26][c:27]([B:31]([OH:32])[OH:33])[cH:28][cH:29][cH:30]1>>[c:2]1(-[c:27]2[cH:26][n:25][cH:30][cH:29][cH:28]2)[c:3]([O:4][c:5]2[cH:6][cH:7][n:8][c:9]3[cH:10][c:11]([O:17][CH3:18])[c:12]([O:15][CH3:16])[cH:13][c:14]23)[cH:19][c:20]([CH3:24])[c:21]([CH3:23])[cH:22]1