HRID313067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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(Cn2nc(N3CC4CN(C(=O)OC(C)(C)C)CC4C3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68514742

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(N3CC4CN(C(=O)OC(C)(C)C)CC4C3)c3c(Oc4ccc(NC(=O)c5ccnn(-c6ccc(F)cc6)c5=O)cc4F)ccnc32)cc1

HCID68512270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c756a765917448eeb895561f4ee725ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:61]([N:62]=[C:63]=[N:64][CH2:65][CH2:66][CH2:67][N:68]([CH3:69])[CH3:70])[CH3:71].[CH2:82]([N:83]([CH:84]([CH3:85])[CH3:86])[CH:87]([CH3:88])[CH3:89])[CH3:90].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:26]3[CH2:27][CH:28]4[CH:29]([CH2:30]3)[CH2:31][N:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]4)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:41][cH:42]1.[ClH:60].[F:43][c:44]1[cH:45][cH:46][c:47](-[n:50]2[n:51][cH:52][cH:53][c:54]([C:57](=[O:58])[OH:59])[c:55]2=[O:56])[cH:48][cH:49]1.[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[n:72]1([OH:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:26]3[CH2:27][CH:28]4[CH:29]([CH2:30]3)[CH2:31][N:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]4)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH:24][C:57]([c:54]3[cH:53][cH:52][n:51][n:50](-[c:47]4[cH:46][cH:45][c:44]([F:43])[cH:49][cH:48]4)[c:55]3=[O:56])=[O:58])[cH:22][cH:23]2)[cH:41][cH:42]1