HRID86414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1032

未命名化合物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：FC(F)(F)c1cc(COC2CCNCC2c2ccccc2)cc(C(F)(F)F)c1

HCID11632772

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1

HCID87675688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f696224af908488eadc08e626dcd1f5e
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

[CH3:30][CH2:31][C:32]([OH:33])=[O:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([CH2:7][O:8][CH:9]2[CH:10]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:11][NH:12][CH2:13][CH2:14]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:42]>>[F:2][C:3]([c:4]1[cH:5][c:6]([CH2:7][O:8][CH:9]2[CH:10]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:11][N:12]([C:32]([CH2:31][CH3:30])=[O:33])[CH2:13][CH2:14]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29]