HRID2335841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID18388382

未命名化合物

结构：CN(CC(CCCBr)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1

HCID21842622

未命名化合物

PRODUCTS

生成物

结构：CN(CC(CCCN1CCC2(CC1)CSc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1

HCID21842573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b007e69289245eba93a0a50229c1f9b
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:25][CH2:26][CH2:27][CH2:28][CH:29]([CH2:30][N:31]([S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[CH3:41])[c:42]1[cH:43][c:44]([Cl:48])[cH:45][cH:46][cH:47]1.[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[CH3:49][C:50]#[N:51].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[ClH:1].[I-:52].[NH:2]1[CH2:3][CH2:4][C:5]2([c:6]3[c:7]([cH:10][cH:11][cH:12][cH:13]3)[S:8][CH2:9]2)[CH2:14][CH2:15]1>>[N:2]1([CH2:26][CH2:27][CH2:28][CH:29]([CH2:30][N:31]([S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH3:41])[c:42]2[cH:43][c:44]([Cl:48])[cH:45][cH:46][cH:47]2)[CH2:3][CH2:4][C:5]2([c:6]3[c:7]([cH:10][cH:11][cH:12][cH:13]3)[S:8][CH2:9]2)[CH2:14][CH2:15]1