HRID1556086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

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

HCID76553194

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

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

HCID74947053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f3737c5b241452aa33358d6a3c3466e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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