HRID2142831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

反应SMILES：O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCNCC1

HCID59750797

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1

HCID59750909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b2cfe64120da4b0dac14d0302ffb6bc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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