HRID205671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID31374

Dimethylacetamide

C4H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID16228722

1-(2,2,2-Trifluoroethyl)piperidin-4-amine

C7H13F3N2

HCID24729971

6-(2-Fluorophenyl)pyridine-3-carboxylic acid

C12H8FNO2

PRODUCTS

生成物

结构：O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2ccccc2F)nc1

HCID59743654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f1104c04436442f9dc4e90eb7c31b80
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

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