HRID2124297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8471

Triethylamine

C6H15N

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

HCID53800110

tert-butyl (3RS,4RS)-4-(4-aminomethyl-phenyl)-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

C28H34N2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(C(N)S(=O)(=O)c3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1

HCID86604394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a1701b31286473384ebe3fa08d808cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:51]([Cl:52])[Cl:53].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([O:22][CH2:23][c:24]3[cH:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[cH:32][cH:33]3)[CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:7][cH:8]1.[c:41]1([S:47](=[O:48])(=[O:49])[Cl:50])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[NH2:1][CH:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([O:22][CH2:23][c:24]3[cH:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[cH:32][cH:33]3)[CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:7][cH:8]1)[S:47]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)(=[O:48])=[O:49]