HRID208961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID28486

Lithium ion

Li+

HCID123351

Perchlorate

ClO4-

HCID14372924

未命名化合物

HCID21978394

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(CC1CN(CC(O)c2ccc(F)cc2F)C1)c1ccc(F)cc1

HCID21978377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc02ba38828f4e0095b24514810ca8bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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