HRID176399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61668

Boronic acid

H3BO2

HCID70119

4-Bromobenzyl alcohol

C7H7BrO

结构：COc1ccccc1CN(C(=O)c1sc2ccccc2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID69165908

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(CO)cc2)cc1CN(C(=O)c1sc2ccccc2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2a00a8eb7204a3595b5b1154061f488
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

[BH:1]([OH:2])[OH:3].[Br:41][c:42]1[cH:43][cH:44][c:45]([CH2:48][OH:49])[cH:46][cH:47]1.[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([N:18]([C:19](=[O:20])[c:21]2[c:22]([Cl:30])[c:23]3[c:24]([s:25]2)[cH:26][cH:27][cH:28][cH:29]3)[CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[O:38][CH3:39])[CH2:16][CH2:17]1)[CH3:40]>>[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([N:18]([C:19](=[O:20])[c:21]2[c:22]([Cl:30])[c:23]3[c:24]([s:25]2)[cH:26][cH:27][cH:28][cH:29]3)[CH2:31][c:32]2[cH:33][c:34](-[c:42]3[cH:43][cH:44][c:45]([CH2:48][OH:49])[cH:46][cH:47]3)[cH:35][cH:36][c:37]2[O:38][CH3:39])[CH2:16][CH2:17]1)[CH3:40]