HRID1215724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

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

HCID67470533

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)C(=O)OCOc1nc(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2cc(OC)cc(OCCOC(C)=O)c2F)nn1-c1ncccn1

HCID76166052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5aac408fbfc46aea29076631ca167bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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