HRID814451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2735219

2-Acetamido-5-aminopyridine

C7H9N3O

HCID57431513

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cn1

HCID66863369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b19973f4fdb847c8bfbf8d18bf5a71c2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:48]([CH3:49])(=[O:50])[NH:51][c:52]1[n:53][cH:54][c:55]([NH2:58])[cH:56][cH:57]1.[CH3:59][N:60]([c:61]1[cH:62][cH:63][cH:64][cH:65][n:66]1)[CH3:67].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[CH:22]1([N:23]=[C:24]=[N:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[n:7]([CH2:11][c:12]3[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]3)[c:8]2[cH:9][cH:10]1.[Na+:77].[O-:73][C:74]([OH:75])=[O:76].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:19](=[O:21])[NH:58][c:55]3[cH:54][n:53][c:52]([NH:51][C:48]([CH3:49])=[O:50])[cH:57][cH:56]3)[n:7]([CH2:11][c:12]3[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]3)[c:8]2[cH:9][cH:10]1