HRID95604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID3741048

Perfluorobutanesulfonate

C4F9O3S-

HCID18411300

未命名化合物

HCID86596792

未命名化合物

PRODUCTS

生成物

HCID3741048

Perfluorobutanesulfonate

C4F9O3S-

结构：O=S(=O)(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)C(F)(F)C1CC2CCC1C2

HCID86596791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a0198ffb7204a11988397ac51eb2920
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

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