HRID173605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7456

Methylparaben

C8H8O3

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(O)c3ccc(Br)cc3)CC2)c1

HCID22048618

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OC(CCN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)c2ccc(Br)cc2)cc1

HCID22049316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79bf1e0919c74589a52d1787594b9e8f
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

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