HRID143096

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID87681

Hydrazinium

H5N2+

HCID2734671

3,4,5-Trifluorophenylboronic acid

C6H4BF3O2

结构：CCCC1CCc2c(c(=O)oc3cc(OS(=O)(=O)C(F)(F)F)ccc23)C1

HCID57901197

未命名化合物

PRODUCTS

生成物

结构：CCCC1CCc2c(c(=O)oc3cc(-c4cc(F)c(F)c(F)c4)ccc23)C1

HCID16656788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb791f200aef4c1ab176236807bb1d7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]3[c:12]([c:13](=[O:17])[o:14][c:15]2[cH:16]1)[CH2:18][CH:19]([CH2:22][CH2:23][CH3:24])[CH2:20][CH2:21]3)(=[O:25])=[O:26].[F:27][c:28]1[cH:29][c:30]([B:36]([OH:37])[OH:38])[cH:31][c:32]([F:35])[c:33]1[F:34].[NH3+:40][NH2:41].[OH-:39].[OH2:42]>>[c:7]1(-[c:30]2[cH:29][c:28]([F:27])[c:33]([F:34])[c:32]([F:35])[cH:31]2)[cH:8][cH:9][c:10]2[c:11]3[c:12]([c:13](=[O:17])[o:14][c:15]2[cH:16]1)[CH2:18][CH:19]([CH2:22][CH2:23][CH3:24])[CH2:20][CH2:21]3