HRID211960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2

HCID76553213

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2

HCID74926860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-511b6700ef564fb98a1f4882af165f16
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

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([C:37]([F:38])([F:39])[F:40])[n:8]2[c:9]1[CH:10]([CH3:36])[N:11]([C:14]([CH2:15][CH:16]([CH2:17][c:18]1[c:19]([F:26])[cH:20][c:21]([F:25])[c:22]([F:24])[cH:23]1)[NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])=[O:35])[CH2:12][CH2:13]2.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[ClH:41]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([C:37]([F:38])([F:39])[F:40])[n:8]2[c:9]1[CH:10]([CH3:36])[N:11]([C:14]([CH2:15][CH:16]([CH2:17][c:18]1[c:19]([F:26])[cH:20][c:21]([F:25])[c:22]([F:24])[cH:23]1)[NH2:27])=[O:35])[CH2:12][CH2:13]2.[ClH:41]