HRID2137598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID69873

4-Phenylpiperidine

C11H15N

结构：COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(C(=O)Cl)cc3)cc21

HCID86610013

未命名化合物

PRODUCTS

生成物

结构：COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(C(=O)N4CCC(c5ccccc5)CC4)cc3)cc21

HCID68504417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d6d0500ec4048af891fdbce4a2df5ba
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

[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[Cl:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][c:26]([CH:29]2[CH:30]([O:42][CH2:43][c:44]3[cH:45][cH:46][c:47]4[c:48]([cH:59]3)[N:49]([CH2:54][CH2:55][CH2:56][O:57][CH3:58])[C:50](=[O:53])[CH2:51][O:52]4)[CH2:31][N:32]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:33][CH2:34]2)[cH:27][cH:28]1.[Cl:65][CH2:66][Cl:67].[Na+:60].[OH:61][C:62](=[O:63])[O-:64].[c:1]1([CH:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][CH2:9][N:10]([C:21](=[O:22])[c:23]3[cH:24][cH:25][c:26]([CH:29]4[CH:30]([O:42][CH2:43][c:44]5[cH:45][cH:46][c:47]6[c:48]([cH:59]5)[N:49]([CH2:54][CH2:55][CH2:56][O:57][CH3:58])[C:50](=[O:53])[CH2:51][O:52]6)[CH2:31][N:32]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:33][CH2:34]4)[cH:27][cH:28]3)[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1