HRID194476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734390

3,4,5-Trimethoxyphenylboronic acid

C9H13BO5

结构：CC(Nc1nccc(-n2cnc3cc(I)ccc32)n1)c1ccccc1

HCID18375601

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2ccc3c(c2)ncn3-c2ccnc(NC(C)c3ccccc3)n2)cc(OC)c1OC

HCID18375394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e10caea3cb2346abbd2d67c285a6b4f6
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

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