HRID2122646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID58075403

未命名化合物

HCID58075757

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2nc(NC(C)C)c3c(n2)C(c2ccccc2)CC3)ccc1-n1cnc(Cl)c1

HCID50913786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef9a94494745409283a92eb6978985d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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