HRID1141173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1

HCID57387816

未命名化合物

PRODUCTS

生成物

结构：Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1

HCID57385788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b8d6cb3b78b4529857ce62b78b19e0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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