HRID97913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1146

Trimethylamine

C3H9N

HCID6344

Dichloromethane

CH2Cl2

HCID520445

Methyl 2-hydroxybutanoate

C5H10O3

结构：O=C(Cl)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1

HCID20549318

未命名化合物

PRODUCTS

生成物

结构：CCC(OC(=O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1)C(=O)OC

HCID20549373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ea22a3c55b94452bf0a7ea8cdadaa9f
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

[CH2:43]([Cl:44])[Cl:45].[CH3:39][N:40]([CH3:41])[CH3:42].[ClH:1].[F:2][C: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][CH2:17][CH2:18][NH:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[Cl:26])[cH:27][cH:28]1)([F:29])[F:30].[OH:31][CH:32]([C:33](=[O:34])[O:35][CH3:36])[CH2:37][CH3:38]>>[F:2][C: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][CH2:17][CH2:18][NH:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[O:31][CH:32]([C:33](=[O:34])[O:35][CH3:36])[CH2:37][CH3:38])[cH:27][cH:28]1)([F:29])[F:30]