HRID96013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734377

4-Phenoxyphenylboronic acid

C12H11BO3

结构：COC(=O)C(Cc1ccc(Br)cc1)NC(=O)c1ccc(NCc2cccc3ccccc23)cc1

HCID68860012

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)NC(=O)c1ccc(NCc2cccc3ccccc23)cc1

HCID68858981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a41a274cd034e0ba316823af03d092a
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

[C:51](=[O:52])([O-:53])[O-:54].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([Br:12])[cH:10][cH:11]1)[NH:13][C:14]([c:15]1[cH:16][cH:17][c:18]([NH:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[cH:19][cH:20]1)=[O:33])=[O:34].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Na+:55].[Na+:56].[O:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:42]1[cH:43][cH:44][c:45]([B:48]([OH:49])[OH:50])[cH:46][cH:47]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:45]2[cH:44][cH:43][c:42]([O:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:47][cH:46]2)[cH:10][cH:11]1)[NH:13][C:14]([c:15]1[cH:16][cH:17][c:18]([NH:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[cH:19][cH:20]1)=[O:33])=[O:34]