HRID86256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID56851233

未命名化合物

HCID67520950

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2ncnc3ccn(CCNC(=O)OC(C)(C)C)c23)ccc1Oc1cccc(OC(F)(F)F)c1

HCID86615774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71b00edf039f43bba5c5424d4b876fe5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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