HRID118255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86615397

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86615398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d843d527ac5344dea69cbceb02adc98f
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

[BH3:41].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[ClH:42].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](-[c:28]3[c:29]([O:37][CH3:38])[cH:30][cH:31][c:32]([CH:34]([CH3:35])[CH3:36])[cH:33]3)[cH:20][cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:39])[F:40].[Na+:44].[OH-:43]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][CH2:14][NH:16][CH2:17][c:18]2[c:19](-[c:28]3[c:29]([O:37][CH3:38])[cH:30][cH:31][c:32]([CH:34]([CH3:35])[CH3:36])[cH:33]3)[cH:20][cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:39])[F:40]