HRID162248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID44555457

未命名化合物

结构：COc1ccc(N(C)c2nc(CNC(=O)C(C)NC(=O)OC(C)(C)C)nc3ccccc23)cc1

HCID68521074

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(C)c2nc(CNC(=O)C(C)N)nc3ccccc23)cc1

HCID68518539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26b7dcb8dc134c66a5f41e0a958aa9a7
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

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