HRID2337891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID15294

Methyl 4-formylbenzoate

C9H8O3

HCID425305

STK256619

C13H16NOS+

HCID22713222

未命名化合物

PRODUCTS

生成物

结构：CCCCCOc1ccc(C(=O)CCC(=O)c2ccc(C(=O)OC)cc2)cc1

HCID22713223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43d2245b19db472f9372474f58cc827e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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