HRID146882

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：COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2nc(OCOC(=O)C3CCCCC3)n(-c3ncccn3)n2)c1

HCID68212832

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCCOC(C)=O)c(F)c(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2nc(OCOC(=O)C3CCCCC3)n(-c3ncccn3)n2)c1

HCID76166085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9cfd40f66bd4a908adaf167fc9fec9d
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

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