HRID97812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID12896813

未命名化合物

结构：CC(C)(CC(O)(C=O)C(F)(F)F)c1cc(F)cc2c1OCC2

HCID44184989

5-Fluoro-2,3-dihydro-α-hydroxy-γ,γ-dimethyl-α-(trifluoromethyl)-7-benzofuranbutanal

C15H16F4O3

PRODUCTS

生成物

结构：Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)c(F)ccc2n1

HCID11705681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c94b004c6f347e89a6035619ff383fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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