HRID1121095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID2683

Alkyl pyridinium compound C16 (APyrC C16)

C21H38N+

结构：CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O

HCID4835

未命名化合物

HCID6212

Chloroform

CHCl3

HCID5360545

Sodium

PRODUCTS

生成物

HCID2683

Alkyl pyridinium compound C16 (APyrC C16)

C21H38N+

HCID4835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-003b4cf2e86b46648e982957889c81c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[n+:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH:25]12[S:26][C:27]([CH3:28])([CH3:29])[CH:30]([C:58]([OH:59])=[O:60])[N:31]1[C:32](=[O:33])[CH:34]2[NH:35][C:36](=[O:37])[CH:38]([NH:39][C:40](=[O:41])[N:42]1[CH2:43][CH2:44][N:45]([CH2:46][CH3:47])[C:48](=[O:49])[C:50]1=[O:51])[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH:61]([Cl:62])([Cl:63])[Cl:64].[Cl-:1].[Na:24].[OH2:65]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[n+:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH:25]12[S:26][C:27]([CH3:28])([CH3:29])[CH:30]([C:58](=[O:59])[OH:60])[N:31]1[C:32](=[O:33])[CH:34]2[NH:35][C:36](=[O:37])[CH:38]([NH:39][C:40](=[O:41])[N:42]1[CH2:43][CH2:44][N:45]([CH2:46][CH3:47])[C:48](=[O:49])[C:50]1=[O:51])[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1