HRID188651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc(CC(NC(=O)OC(C)(C)C)C(=O)O)ccc1O

HCID17963862

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)ccc1O

HCID178491222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e2fd4923dae462bb697d942567c44a7
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

[Br:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[NH:16][CH:17]([CH2:18][c:19]1[cH:20][c:21]([O:26][CH3:27])[c:22]([OH:25])[cH:23][cH:24]1)[C:28](=[O:29])[OH:30].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[OH2:45]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:30][C:28]([CH:17]([NH:16][C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:18][c:19]1[cH:20][c:21]([O:26][CH3:27])[c:22]([OH:25])[cH:23][cH:24]1)=[O:29]