HRID2331019

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+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID424914

未命名化合物

HCID498716

未命名化合物

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)c(F)cc32)C=C1c1ccc(C=O)cc1

HCID72464757

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCN(Cc2ccc(C3=CC(=C4C(=O)Nc5cc(F)c(F)cc54)OC3(C)C)cc2)CC1

HCID69411976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16336231b64e4a35875037dab2311dd2
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:42]([BH3-:43])#[N:44].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:56][OH:57].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[F:11])[NH:7][C:6](=[O:12])[C:5]2=[C:13]1[CH:14]=[C:15]([c:20]2[cH:21][cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27]2)[C:16]([CH3:18])([CH3:19])[O:17]1.[NH:28]1[CH2:29][CH2:30][CH:31]([C:32](=[O:33])[O:34][CH3:35])[CH2:36][CH2:37]1.[Na+:45].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:58]>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[F:11])[NH:7][C:6](=[O:12])[C:5]2=[C:13]1[CH:14]=[C:15]([c:20]2[cH:21][cH:22][c:23]([CH2:24][N:28]3[CH2:29][CH2:30][CH:31]([C:32](=[O:33])[O:34][CH3:35])[CH2:36][CH2:37]3)[cH:26][cH:27]2)[C:16]([CH3:18])([CH3:19])[O:17]1