HRID154045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID2733141

2,2-Dimethyl-1,3-dioxan-5-one

C6H10O3

HCID178510382

未命名化合物

PRODUCTS

产物

HCID178431605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5b549c46c7d748708391cb5fbacd0eee
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

[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[CH3:36][C:37]1([CH3:44])[O:38][CH2:39][C:40](=[O:43])[CH2:41][O:42]1.[Cl:45][CH2:46][Cl:47].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:48]>>[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][N:23]([CH:40]4[CH2:39][O:38][C:37]([CH3:36])([CH3:44])[O:42][CH2:41]4)[CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1