HRID90772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

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

HCID57518444

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

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

HCID57518443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8dd5b1e470ab402cab46ad18afe4171a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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