HRID1552842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID136696

3,3,3-Triphenylpropionic acid

C21H18O2

HCID18794177

Ethyl 4-(4-chlorophenyl)piperidine-4-carboxylate

C14H18ClNO2

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(Cl)cc2)CCN(C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

HCID21389215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74f4c55b9a114168bddcb817d8d8c1b5
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

[CH2:28]([CH3:29])[O:30][C:31](=[O:32])[C:33]1([c:39]2[cH:40][cH:41][c:42]([Cl:45])[cH:43][cH:44]2)[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[S:24]([Cl:25])([Cl:26])=[O:27].[c:1]1([C:7]([CH2:8][C:9](=[O:10])[OH:11])([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:1]1([C:7]([CH2:8][C:9](=[O:10])[N:36]2[CH2:35][CH2:34][C:33]([C:31]([O:30][CH2:28][CH3:29])=[O:32])([c:39]3[cH:40][cH:41][c:42]([Cl:45])[cH:43][cH:44]3)[CH2:38][CH2:37]2)([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1