HRID140785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5922

Isonicotinic acid

C6H5NO2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COCC(C)(C)C(=O)OCOc1nc(C(Nc2ccc(C(N)=NC(=O)c3ccccc3)cc2)c2cc(OC)cc(OCCO)c2F)nn1-c1ncccn1

HCID68212999

未命名化合物

PRODUCTS

生成物

结构：COCC(C)(C)C(=O)OCOc1nc(C(Nc2ccc(C(N)=NC(=O)c3ccccc3)cc2)c2cc(OC)cc(OCCOC(=O)c3ccncc3)c2F)nn1-c1ncccn1

HCID68212825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-108cf2dda77b48919272570d601f9d50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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