HRID163961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID136469

4-Trifluoromethylpiperidine

C6H10F3N

结构：CC(C)(C)OC(=O)C(CCC(N)=O)N1Cc2c(OCc3ccc(CCl)cc3)cccc2C1=O

HCID67335016

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(CCC(N)=O)N1Cc2c(OCc3ccc(CN4CCC(C(F)(F)F)CC4)cc3)cccc2C1=O

HCID67334942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3846fac4e170465cbdf51af520e87abb
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

[CH3:54][C:55]#[N:56].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:43].[F:44][C:45]([CH:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1)([F:52])[F:53].[NH2:1][C:2]([CH2:3][CH2:4][CH:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[N:13]1[C:14](=[O:32])[c:15]2[cH:16][cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([CH2:30][Cl:31])[cH:28][cH:29]3)[c:20]2[CH2:21]1)=[O:33]>>[NH2:1][C:2]([CH2:3][CH2:4][CH:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[N:13]1[C:14](=[O:32])[c:15]2[cH:16][cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][cH:26][c:27]([CH2:30][N:49]4[CH2:48][CH2:47][CH:46]([C:45]([F:44])([F:52])[F:53])[CH2:51][CH2:50]4)[cH:28][cH:29]3)[c:20]2[CH2:21]1)=[O:33]