HRID203536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID561337

Benzyl glycolate

C9H10O3

HCID4574913

未命名化合物

HCID86760384

未命名化合物

PRODUCTS

生成物

结构：O=C(COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccccc1

HCID16004800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2670f3b4055541fa8844f2214143af4b
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:20]([CH2:21][OH:22])(=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[C:60]([O:61][CH2:62][CH3:63])(=[O:64])[CH3:65].[CH2:38]1[CH2:39][CH2:40][C:41]2=[N:46][CH2:45][CH2:44][CH2:43][N:42]2[CH2:47][CH2:48]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][n:13][c:14]([S:17]([CH3:18])=[O:19])[n:15][cH:16]2)[cH:6][cH:7]1.[K+:37]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][n:13][c:14]([O:22][CH2:21][C:20](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:15][cH:16]2)[cH:6][cH:7]1