HRID88252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID13025814

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCCCCN(C(=O)c1ccc(F)cc1)c1ccc(OC)cc1

HCID54385324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-763fa424378b42a69a44f6f69744ecb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][NH:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)=[O:20].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl-:28].[F:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][N:11]([c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[C:34]([c:33]1[cH:32][cH:31][c:30]([F:29])[cH:38][cH:37]1)=[O:35])=[O:20]