HRID297275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID69020

Acetamide, 2-amino-

C2H6N2O

HCID21089306

未命名化合物

PRODUCTS

产物

HCID21089008

3-[5-chloro-4-[(2,4-difluorobenzyl)oxy)-6-oxopyrimidin-1(6H)-yl]-N-[1-(aminocarbonyl)methyl]-4-methylbenzamide

C21H17ClF2N4O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ee254ec364064ea3a21e81243435feb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:57][N:58]([c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1)[CH3:65].[CH3:66][C:67]#[N:68].[Cl:1][c:2]1[c:3]([O:19][CH2:20][c:21]2[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:4][cH:5][n:6](-[c:9]2[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][c:17]2[CH3:18])[c:7]1=[O:8].[Cl:29][C:30]([O:31][CH2:32][CH:33]([CH3:34])[CH3:35])=[O:36].[ClH:49].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56].[NH2:44][CH2:45][C:46](=[O:47])[NH2:48].[OH2:69]>>[Cl:1][c:2]1[c:3]([O:19][CH2:20][c:21]2[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:4][cH:5][n:6](-[c:9]2[cH:10][c:11]([C:12](=[O:13])[NH:44][CH2:45][C:46](=[O:47])[NH2:48])[cH:15][cH:16][c:17]2[CH3:18])[c:7]1=[O:8]