HRID204256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl Acetate

C4H8O2

HCID68263

1,1'-Carbonyldiimidazole

C7H6N4O

HCID81531

Diisopropylethylamine

C8H19N

HCID136469

4-Trifluoromethylpiperidine

C6H10F3N

HCID66904944

未命名化合物

PRODUCTS

产物

HCID66904910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-eb911fe013364c17836cc6c0261ba6b0
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:42]([n:43]1[cH:44][cH:45][n:46][cH:47]1)([n:48]1[cH:49][cH:50][n:51][cH:52]1)=[O:53].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH:65]([N:66]([CH:67]([CH3:68])[CH3:69])[CH2:70][CH3:71])([CH3:72])[CH3:73].[Cl:1][c:2]1[cH:3][c:4](-[c:33]2[cH:34][cH:35][c:36]([C:39](=[O:40])[OH:41])[cH:37][cH:38]2)[cH:5][c:6]([Cl:32])[c:7]1[CH2:8][CH:9]1[C:10](=[O:31])[N:11]([N:14]2[CH2:15][CH2:16][CH:17]([O:20][Si:21]([CH:22]([CH3:23])[CH3:24])([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1.[Cl:74][CH2:75][Cl:76].[ClH:54].[F:55][C:56]([CH:57]1[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]1)([F:63])[F:64]>>[Cl:1][c:2]1[cH:3][c:4](-[c:33]2[cH:34][cH:35][c:36]([C:39](=[O:40])[N:60]3[CH2:59][CH2:58][CH:57]([C:56]([F:55])([F:63])[F:64])[CH2:62][CH2:61]3)[cH:37][cH:38]2)[cH:5][c:6]([Cl:32])[c:7]1[CH2:8][CH:9]1[C:10](=[O:31])[N:11]([N:14]2[CH2:15][CH2:16][CH:17]([O:20][Si:21]([CH:22]([CH3:23])[CH3:24])([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1