HRID214858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID292103

3-methylmorpholine

C5H11NO

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(Cl)nc(Cl)c1F

HCID58000755

未命名化合物

PRODUCTS

生成物

结构：CC1COCCN1c1nc(Cl)nc(N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1F

HCID178431593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-836fb12d21e44b5eb5b2a3987a1c0c24
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

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