HRID178990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6441

2,2,3,3-Tetrafluoro-1-propanol

C3H4F4O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID166653

Hydride

H-

结构：CC(n1cnc2cc(F)ccc2c1=O)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID18975201

未命名化合物

PRODUCTS

生成物

结构：CC(n1cnc2cc(OCC(F)(F)C(F)F)ccc2c1=O)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID18975254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6845a0142e2647c0b4b33cb43164b38a
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

[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[F:11][c:12]1[c:13]([C:19]([CH:20]([CH3:21])[n:22]2[cH:23][n:24][c:25]3[cH:26][c:27]([F:33])[cH:28][cH:29][c:30]3[c:31]2=[O:32])([CH2:34][n:35]2[n:36][cH:37][n:38][cH:39]2)[OH:40])[cH:14][cH:15][c:16]([F:18])[cH:17]1.[F:1][C:2]([CH2:3][OH:4])([CH:5]([F:6])[F:7])[F:8].[H-:10].[Na+:9].[OH2:41]>>[F:1][C:2]([CH2:3][O:4][c:27]1[cH:26][c:25]2[n:24][cH:23][n:22]([CH:20]([C:19]([c:13]3[c:12]([F:11])[cH:17][c:16]([F:18])[cH:15][cH:14]3)([CH2:34][n:35]3[n:36][cH:37][n:38][cH:39]3)[OH:40])[CH3:21])[c:31](=[O:32])[c:30]2[cH:29][cH:28]1)([CH:5]([F:6])[F:7])[F:8]