HRID188217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8124

Caprylyl chloride

C8H15ClO

HCID15531

Bromoxynil

C7H3Br2NO

HCID124611

Tributylbenzylammonium

C19H34N+

PRODUCTS

生成物

HCID15533

Bromoxynil octanoate

C15H17Br2NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5300ced10c14f12893fac66369b962a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])(=[O:23])[Cl:24].[CH2:26]([N+:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl-:13].[Cl-:25].[Na+:12].[OH2:14].[OH:1][c:2]1[c:3]([Br:4])[cH:5][c:6]([C:10]#[N:11])[cH:7][c:8]1[Br:9]>>[O:1]([c:2]1[c:3]([Br:4])[cH:5][c:6]([C:10]#[N:11])[cH:7][c:8]1[Br:9])[C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[O:23]