HRID283090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8501

4-Chlorobenzoyl chloride

C7H4Cl2O

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCO)cc2)C(OCc2ccc3ccccc3c2)C1

HCID54366502

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCOC(=O)c3ccc(Cl)cc3)cc2)C(OCc2ccc3ccccc3c2)C1

HCID53870309

tert-butyl (3RS,4RS)-4-[4-[2-(4-chloro-benzoyloxy)-ethoxy]-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

C36H38ClNO6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb93d186cc6c4555907c4c676f5239ca
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

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