HRID195032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21081527

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

C12H8FNO3

结构：COc1ccc(Cn2nc(C)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68513307

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(C)c3c(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)ccnc32)cc1

HCID68516431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff711625e2df48209160837a2e471b87
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

[CH3:18][CH2:19][N:20]=[C:21]=[N:22][CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28].[CH3:39][O:40][c:41]1[cH:42][cH:43][c:44]([CH2:45][n:46]2[n:47][c:48]([CH3:64])[c:49]3[c:50]2[n:51][cH:52][cH:53][c:54]3[O:55][c:56]2[c:57]([F:63])[cH:58][c:59]([NH2:62])[cH:60][cH:61]2)[cH:65][cH:66]1.[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[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:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]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:62][c:59]3[cH:58][c:57]([F:63])[c:56]([O:55][c:54]4[c:49]5[c:48]([CH3:64])[n:47][n:46]([CH2:45][c:44]6[cH:43][cH:42][c:41]([O:40][CH3:39])[cH:66][cH:65]6)[c:50]5[n:51][cH:52][cH:53]4)[cH:61][cH:60]3)[cH:11][cH:12][cH:13]2)[cH:6][cH:7]1