HRID287621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9774

1,1,1-Trifluoro-2-propanol

C3H5F3O

HCID166653

Hydride

H-

结构：Cc1cc(-c2nc(-c3cccc4c3ccn4CC(N)=O)no2)ccc1F

HCID59214315

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2nc(-c3cccc4c3ccn4CC(N)=O)no2)ccc1OC(C)C(F)(F)F

HCID59214334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fc7b099b74d48889906dd53a8471c7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[F:1][c:2]1[c:3]([CH3:26])[cH:4][c:5](-[c:8]2[n:9][c:10](-[c:13]3[c:14]4[cH:15][cH:16][n:17]([CH2:22][C:23](=[O:24])[NH2:25])[c:18]4[cH:19][cH:20][cH:21]3)[n:11][o:12]2)[cH:6][cH:7]1.[F:27][C:28]([CH:29]([CH3:30])[OH:31])([F:32])[F:33].[H-:35].[Na+:34].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36]>>[c:2]1([O:31][CH:29]([C:28]([F:27])([F:32])[F:33])[CH3:30])[c:3]([CH3:26])[cH:4][c:5](-[c:8]2[n:9][c:10](-[c:13]3[c:14]4[cH:15][cH:16][n:17]([CH2:22][C:23](=[O:24])[NH2:25])[c:18]4[cH:19][cH:20][cH:21]3)[n:11][o:12]2)[cH:6][cH:7]1