HRID1153562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11426997

未命名化合物

HCID21081527

1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

C12H8FNO3

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC

HCID15983978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eea62f108dc143c1a4edee2b116ee58a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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