HRID98636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66767171

未命名化合物

结构：COc1ccc(Cn2ncc3c(N(CCN4CCOCC4)c4ccc(N)cc4F)ccnc32)cc1

HCID68514133

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2ncc3c(N(CCN4CCOCC4)c4ccc(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)ccnc32)cc1

HCID68516410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-569107ef18c249289e032182f53b31f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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].[CH3:48][O:49][c:50]1[cH:51][cH:52][c:53]([CH2:54][n:55]2[n:56][cH:57][c:58]3[c:59]2[n:60][cH:61][cH:62][c:63]3[N:64]([c:65]2[c:66]([F:72])[cH:67][c:68]([NH2:71])[cH:69][cH:70]2)[CH2:73][CH2:74][N:75]2[CH2:76][CH2:77][O:78][CH2:79][CH2:80]2)[cH:81][cH:82]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[c:13]2=[O:14])[cH:6][cH:7]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[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[n:9][cH:10][cH:11][c:12]([C:15](=[O:17])[NH:71][c:68]3[cH:67][c:66]([F:72])[c:65]([N:64]([c:63]4[c:58]5[cH:57][n:56][n:55]([CH2:54][c:53]6[cH:52][cH:51][c:50]([O:49][CH3:48])[cH:82][cH:81]6)[c:59]5[n:60][cH:61][cH:62]4)[CH2:73][CH2:74][N:75]4[CH2:76][CH2:77][O:78][CH2:79][CH2:80]4)[cH:70][cH:69]3)[c:13]2=[O:14])[cH:6][cH:7]1