HRID676675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79799

p-Tolueneboronic 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：Cc1ccc(-c2cccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)c2)cc1

HCID18668660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-112d7ad9a4304ef98d9afd574a7f2fc5
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: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])[cH:2][cH:3][c:4]([B:7]([OH:8])[OH:9])[cH:5][cH:6]1>>[c:1]1([CH3:10])[cH:2][cH:3][c:4](-[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:5][cH:6]1