HRID150286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID13152035

1,3-Dimethylpiperazine

C6H14N2

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：CC1CN(C)CCN1c1nc(Cl)nc(N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1F

HCID178430509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39a6a51cd2d7452c8126b38cc9f2707a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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