HRID2161923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID2566

Carbofuran

C12H15NO3

HCID8058

n-Hexane

C6H14

HCID8148

N-Butyl-1-butanamine

C8H19N

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID14228601

thiohypochlorous acid

HClS

PRODUCTS

生成物

结构：CCCCN(CCCC)SCNC(=O)Oc1cccc2c1OC(C)(C)C2

HCID13206391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e1fcaf9417744dda9af71d2c2a1147b
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

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