HRID2329487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID68775351

未命名化合物

结构：COc1ccc(N(Cc2cccc(C#N)n2)C2CCN(C(C)CCNC(=O)OC(C)(C)C)CC2)cc1

HCID68973523

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(Cc2cccc(C#N)n2)C2CCN(C(C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1

HCID68973251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8d46d9e06c34cf9a102832b2efb192e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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