HRID92827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

结构：CC(C)C(O)(c1cccc(Br)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID18668522

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1cccc(C(O)(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(C)C)c1

HCID18668588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-651ddaedf7bb46bba9f7ef3d7adea88c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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