HRID2329512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8471

Triethylamine

C6H15N

HCID76096

Phenylsulphonyl isocyanate

C7H5NO3S

HCID4149208

Dodecanoate anion

C12H23O2-

2 次

HCID9543249

Dibutyltin ion

C8H18Sn+2

HCID11745656

4-bromo-N-ethylaniline

C8H10BrN

PRODUCTS

生成物

结构：CCN(C(=O)NS(=O)(=O)c1ccccc1)c1ccc(Br)cc1

HCID12873785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72e283f6189b42cc859f2ff1876bf8b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:6][CH2:7][CH3:8])[cH:9][cH:10]1.[C:36]([O-:37])(=[O:38])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[C:50]([O-:51])(=[O:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH2:64]([Sn+2:65][CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[c:11]1([S:17](=[O:18])(=[O:19])[N:20]=[C:21]=[O:22])[cH:12][cH:13][cH:14][cH:15][cH:16]1.[cH:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N:6]([CH2:7][CH3:8])[C:21]([NH:20][S:17]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)(=[O:18])=[O:19])=[O:22])[cH:9][cH:10]1