HRID1144717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID83795

1-Acetylpiperazine

C6H12N2O

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(OS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)c(F)cc2c1=O

HCID13849335

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCN(C(C)=O)CC3)c(F)cc2c1=O

HCID13652919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beed37cdfa624bd7b6a10bd48fefffbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:2]([CH3:3])(=[O:4])[N:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[CH2:67]([Cl:68])[Cl:69].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[ClH:1].[F:18][c:19]1[c:20](-[n:26]2[cH:27][c:28]([C:57](=[O:58])[O:59][CH2:60][CH3:61])[c:29](=[O:56])[c:30]3[cH:31][c:32]([F:55])[c:33]([O:36][S:37]([c:38]4[c:39]([CH:40]([CH3:41])[CH3:42])[cH:43][c:44]([CH:45]([CH3:46])[CH3:47])[cH:48][c:49]4[CH:50]([CH3:51])[CH3:52])(=[O:53])=[O:54])[n:34][c:35]23)[cH:21][cH:22][c:23]([F:25])[cH:24]1>>[C:2]([CH3:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:33]2[c:32]([F:55])[cH:31][c:30]3[c:29](=[O:56])[c:28]([C:57](=[O:58])[O:59][CH2:60][CH3:61])[cH:27][n:26](-[c:20]4[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]4)[c:35]3[n:34]2)[CH2:9][CH2:10]1