HRID305222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID7672

Phenyl isocyanate

C7H5NO

HCID8471

Triethylamine

C6H15N

HCID102208

Phenol, 4-isothiocyanato-

C7H5NOS

HCID4149208

Dodecanoate anion

C12H23O2-

2 次

HCID9543249

Dibutyltin ion

C8H18Sn+2

PRODUCTS

生成物

HCID54137952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-953f9ab04877444aa2e7e063614ce728
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:33]([O-:34])(=[O:35])[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[C:47]([O-:48])(=[O:49])[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[CH2:61]([Sn+2:62][CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[O:11]=[C:12]=[N:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[S:10])[cH:6][cH:7]1.[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[S:10])[cH:6][cH:7]1)[C:12](=[O:11])[NH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1