HRID194127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：C=C(C)CC(O)(C(Nc1cccc2nc(C)ncc12)c1ccc(F)cc1OC)C(F)(F)F

HCID17985061

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)ccc1C(Nc1cccc2nc(C)ncc12)C(O)(CC(C)C)C(F)(F)F

HCID69208481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43f2a7d905fe420eb3e4af7ca1babf6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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