HRID2138866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1118

Sulfuric acid

H2O4S

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C(Cc1cnc(Nc2ccccc2)nc1NCC(C)C)c1ccc(OC)cc1

HCID21044311

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2Cc3cnc(Nc4ccccc4)nc3N(CC(C)C)C2=O)cc1

HCID10386391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a156c035901b4144b3b17af5f4c0b026
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

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