HRID1558476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7808

4-Bromophenol

C6H5BrO

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCC(O)c3ccccc3)CC2)c1

HCID22049151

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCC(Oc3ccc(Br)cc3)c3ccccc3)CC2)c1

HCID22049616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1c28531f5ba42a987bf51313f8bbf59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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