HRID2149875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)OC(=O)OC(C)OC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2

HCID57518475

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)OC(=O)OC(C)OC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(N)Cc1cc(F)c(F)cc1F)CC2

HCID57518474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd8cb2268f0d4af8a15b46796c0e83dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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