HRID103425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

结构：CC(C)OC(=O)N1CCCC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc3c(c21)CCC3

HCID86615657

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2c1ccc1c2CCC1

HCID59003142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baf0ec0aa823441e8f399d6d70e3f4b2
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

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