HRID702028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID21531

Triisopropyl orthoborate

C9H21BO3

HCID18679532

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID18679438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d734f5b8514e481c9419b6fdf40d3c8d
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

[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7](-[c:12]3[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[c:8]2[cH:9][c:10]1[F:11].[C:64]([OH:65])(=[O:66])[CH3:67].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:19][CH2:20][CH2:21][CH2:22][Li:23].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[CH:24]([O:27][B:25]([O:26][CH:28]([CH3:29])[CH3:30])[O:31][CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl-:55].[Na+:56].[Na+:57].[Na+:58].[O-:59][S:60]([O-:61])(=[S:62])=[O:63].[OH2:68].[OH:37][OH:38]>>[c:2]1([OH:27])[cH:3][c:4]2[cH:5][cH:6][n:7](-[c:12]3[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[c:8]2[cH:9][c:10]1[F:11]