HRID687967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID241

Benzene

C6H6

2 次

HCID702

Ethanol

C2H6O

HCID888

Magnesium cation

Mg+2

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID28123

Tetrahydroborate

H4B-

HCID104812

Orthosilicate

O4Si-4

结构：O=C(c1ccc(F)cc1)C1CCN(CCCC2(c3ccc(F)cc3)OCCO2)CC1

HCID20318874

未命名化合物

PRODUCTS

生成物

HCID20318877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c1ad97252af43b19139b84e6c2b0656
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH4-:1].[CH3:3][CH2:4][OH:5].[CH3:49][C:50]([CH3:51])=[O:52].[F:6][c:7]1[cH:8][cH:9][c:10]([C:13]2([CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([C:27]([c:28]4[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]4)=[O:35])[CH2:25][CH2:26]3)[O:14][CH2:15][CH2:16][O:17]2)[cH:11][cH:12]1.[Mg+2:41].[Mg+2:42].[Na+:2].[OH2:59].[Si:36]([O-:37])([O-:38])([O-:39])[O-:40].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[F:6][c:7]1[cH:8][cH:9][c:10]([C:13]2([CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([CH:27]([c:28]4[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]4)[OH:35])[CH2:25][CH2:26]3)[O:14][CH2:15][CH2:16][O:17]2)[cH:11][cH:12]1