HRID2345427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID498716

未命名化合物

HCID529392

3-Oxotetrahydrofuran

C4H6O2

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N)cc2n1Cc1ccccc1

HCID59762431

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCOC3)cc2n1Cc1ccccc1

HCID59762344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f58831285734088862dbee872bab909
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:39]([BH3-:40])#[N:41].[C:43]([OH:44])(=[O:45])[CH3:46].[CH3:47][OH:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[cH:26][c:27]([F:32])[c:28]([F:31])[cH:29][cH:30]3)[c:7]([CH:18]([CH3:19])[CH3:20])[n:8]([CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[c:9]2[cH:10]1.[Na+:42].[O:33]1[CH2:34][C:35](=[O:38])[CH2:36][CH2:37]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[cH:26][c:27]([F:32])[c:28]([F:31])[cH:29][cH:30]3)[c:7]([CH:18]([CH3:19])[CH3:20])[n:8]([CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[c:9]2[cH:10]1)[CH:35]1[CH2:34][O:33][CH2:37][CH2:36]1