HRID1142821

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

HCID8019

2-Methoxyethanol

C3H8O2

HCID166653

Hydride

H-

结构：O=C(Nc1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]1)c1cn2nc(Cl)ccc2n1

HCID178522475

未命名化合物

PRODUCTS

生成物

结构：COCCOc1ccc2nc(C(=O)Nc3nc4cc(-c5cccc(C(F)(F)F)c5)ccc4[nH]3)cn2n1

HCID178496102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99390f9bb8fc49219df92fa4cfc4f306
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

[CH3:1][O:2][CH2:3][CH2:4][OH:5].[F:8][C:9]([c:10]1[cH:11][c:12](-[c:16]2[cH:17][c:18]3[c:19]([nH:20][c:21]([NH:23][C:24](=[O:25])[c:26]4[n:27][c:28]5[n:29]([n:30][c:31]([Cl:34])[cH:32][cH:33]5)[cH:35]4)[n:22]3)[cH:36][cH:37]2)[cH:13][cH:14][cH:15]1)([F:38])[F:39].[H-:6].[Na+:7].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40]>>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:31]1[n:30][n:29]2[c:28]([n:27][c:26]([C:24]([NH:23][c:21]3[nH:20][c:19]4[c:18]([cH:17][c:16](-[c:12]5[cH:11][c:10]([C:9]([F:8])([F:38])[F:39])[cH:15][cH:14][cH:13]5)[cH:37][cH:36]4)[n:22]3)=[O:25])[cH:35]2)[cH:33][cH:32]1