HRID211873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID3826051

未命名化合物

HCID13530069

未命名化合物

HCID14387463

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC1CCCCC1)C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1

HCID18418716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61dbcdda5e6f42de8a3b02d1ba2d3638
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:46]([N+:47]([CH3:48])([CH3:49])[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:44][O-:45].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[CH:1]1([NH:7][CH:8]([C:9](=[O:10])[OH:11])[CH:12]([CH3:13])[CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[ClH:15].[F:16][c:17]1[cH:18][cH:19][c:20]([CH:23]([CH2:24][CH2:25][CH2:26][NH2:27])[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:21][cH:22]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH:1]1([NH:7][CH:8]([C:9](=[O:11])[NH:27][CH2:26][CH2:25][CH2:24][CH:23]([c:20]2[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[CH:12]([CH3:13])[CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1