HRID673400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7622

Tributylamine

C12H27N

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID10374504

3,3-dimethoxypropanoic Acid

C5H10O4

结构：COC(=O)C(CCOCc1ccccc1)NCC(C)Nc1ccc(Cl)c(Cl)c1

HCID66783304

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCOCc1ccccc1)N(CC(C)Nc1ccc(Cl)c(Cl)c1)C(=O)CC(OC)OC

HCID66782918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c219e6c245c45a1806737205585e9f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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