HRID179423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID11481097

未命名化合物

结构：CC(C)C1(C(=O)O)CCC(NC(=O)OC(C)(C)C)C1

HCID23533517

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(NC(=O)OC(C)(C)C)C1

HCID23533713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-872da7d5e17f41fe9d040e8f25ad93f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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