HRID295397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12009

1-Methyluracil

C5H6N2O2

结构：CC(C)(C)OC(=O)NC(Cc1ccc(B(O)O)cc1)C(=O)O

HCID13996235

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(=O)n(-c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)c1=O

HCID17849873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01d0d04ae1c247d9a4c6468ecbe7f02a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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