HRID116613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID28557

18-Crown-6

C12H24O6

结构：O=C(N1CCc2ccc(S(=O)(=O)Cl)cc2CC1)C(F)(F)F

HCID54286576

2,3,4,5-Tetrahydro-3-(2,2,2-trifluoroacetyl)-1H-3-benzazepine-7-sulfonyl chloride

C12H11ClF3NO3S

PRODUCTS

生成物

结构：O=C(N1CCc2ccc(S(=O)(=O)F)cc2CC1)C(F)(F)F

HCID57592483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e72a261224a48b58bafb82a25e89756
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

[CH3:42][C:43]#[N:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[F-:22].[F:1][C:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][cH:13][c:14]([S:16](=[O:17])(=[O:18])[Cl:19])[cH:15]2)[CH2:10][CH2:11]1)([F:20])[F:21].[K+:23].[O:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29][O:30][CH2:31][CH2:32][O:33][CH2:34][CH2:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[OH2:51]>>[F:1][C:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][cH:13][c:14]([S:16](=[O:17])(=[O:18])[F:22])[cH:15]2)[CH2:10][CH2:11]1)([F:20])[F:21]