HRID309178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID48847

3-Acetamidobenzoic acid

C9H9NO3

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccccc1Oc1ccc(Nc2c(C#N)cnn3cc(N)c(C)c23)cc1

HCID22179425

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1ccc(Nc2c(C#N)cnn3cc(NC(=O)c4cccc(NC(C)=O)c4)c(C)c23)cc1

HCID22179512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad9769025035481fb25b289abbfec645
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

[C:31]([CH3:32])(=[O:33])[NH:34][c:35]1[cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42][cH:43]1.[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[ClH:1].[NH2:2][c:3]1[c:4]([CH3:30])[c:5]2[n:6]([n:7][cH:8][c:9]([C:27]#[N:28])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[c:20]([O:25][CH3:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:29]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[NH:2]([c:3]1[c:4]([CH3:30])[c:5]2[n:6]([n:7][cH:8][c:9]([C:27]#[N:28])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[c:20]([O:25][CH3:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:29]1)[C:38]([c:37]1[cH:36][c:35]([NH:34][C:31]([CH3:32])=[O:33])[cH:43][cH:42][cH:41]1)=[O:39]