HRID167839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID949

N,N-Dimethylaniline

C8H11N

HCID11505

4-Methylbenzyl alcohol

C8H10O

HCID31275

1,4-Dioxane

C4H8O2

HCID104215

p-Dodecylbenzenesulphonyl chloride

C18H29ClO2S

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID4378467

4-Dodecylbenzenesulfonic acid ion(1-)

C18H29O3S-

HCID18965749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a2a1a58f3f349e1818b508a0bd15bc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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