HRID148189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID10131212

3-Ethoxy-4-ethoxycarbonylphenylacetic acid

C13H16O5

HCID10422052

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)cc1OCC

HCID13729227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e369a5b83df4cec9b028c2ceec2d5f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:15][C:16](=[O:17])[OH:18])[cH:7][cH:8][c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14].[CH3:28][CH:29]([CH2:30][CH:31]([c:32]1[c:33]([N:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[cH:34][cH:35][cH:36][cH:37]1)[NH2:44])[CH3:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[OH:19][B:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[OH:27]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH2:15][C:16](=[O:18])[NH:44][CH:31]([CH2:30][CH:29]([CH3:28])[CH3:45])[c:32]2[c:33]([N:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[cH:34][cH:35][cH:36][cH:37]2)[cH:7][cH:8][c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]