HRID318467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID6344

Dichloromethane

CH2Cl2

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID61778

Bisulfate anion

HO4S-

HCID98915

Tricyclo(3.3.1.1'3,7)decane-1-carbonyl chloride

C11H15ClO

结构：CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1

HCID2734849

Bis[4-(1,1-dimethylethyl)phenyl]iodonium

C20H26I+

HCID3955599

未命名化合物

PRODUCTS

生成物

HCID2734849

Bis[4-(1,1-dimethylethyl)phenyl]iodonium

C20H26I+

结构：O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2

HCID59360373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63a8960f4de14d6f987a88e713c1c37c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:16]12([C:26](=[O:27])[Cl:28])[CH2:17][CH:18]3[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]1)[CH2:24]3)[CH2:25]2.[C:34]([CH3:35])([CH3:36])([CH3:37])[c:38]1[cH:39][cH:40][c:41]([I+:44][c:45]2[cH:46][cH:47][c:48]([C:51]([CH3:52])([CH3:53])[CH3:54])[cH:49][cH:50]2)[cH:42][cH:43]1.[CH2:57]([N+:58]([CH3:59])([CH3:60])[CH3:61])[c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH2:80]([C:81]([CH3:82])=[O:83])[CH:84]([CH3:85])[CH3:86].[CH3:68][N:69]([CH3:70])[c:71]1[cH:72][cH:73][n:74][cH:75][cH:76]1.[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[Cl-:56].[Cl:77][CH2:78][Cl:79].[Na+:8].[OH2:55].[S:1](=[O:2])(=[O:3])([O-:4])[CH2:5][CH2:6][OH:7].[S:29]([O-:30])([OH:31])(=[O:32])=[O:33]>>[C:34]([CH3:35])([CH3:36])([CH3:37])[c:38]1[cH:39][cH:40][c:41]([I+:44][c:45]2[cH:46][cH:47][c:48]([C:51]([CH3:52])([CH3:53])[CH3:54])[cH:49][cH:50]2)[cH:42][cH:43]1.[S:1](=[O:2])(=[O:3])([O-:4])[CH2:5][CH2:6][O:7][C:26]([C:16]12[CH2:17][CH:18]3[CH2:19][CH:20]([CH2:21][CH:22]([CH2:23]1)[CH2:24]3)[CH2:25]2)=[O:27]