HRID942294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8110

Butyl isocyanate

C5H9NO

HCID8471

Triethylamine

C6H15N

HCID102208

Phenol, 4-isothiocyanato-

C7H5NOS

HCID4149208

Dodecanoate anion

C12H23O2-

2 次

HCID9543249

Dibutyltin ion

C8H18Sn+2

PRODUCTS

生成物

HCID21489009

4-Isothiocyanatophenyl butylcarbamate

C12H14N2O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a6fa2d87697462b924ceed5b502ee69
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:24]([O-:25])(=[O:26])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[C:38]([O-:39])(=[O:40])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH2:11]([CH2:12][CH2:13][CH3:14])[N:15]=[C:16]=[O:17].[CH2:52]([Sn+2:53][CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH3:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[OH:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[S:10])[cH:6][cH:7]1.[cH:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[S:10])[cH:6][cH:7]1)[C:16]([NH:15][CH2:11][CH2:12][CH2:13][CH3:14])=[O:17]