HRID199656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID21867162

未命名化合物

HCID21895438

3-{4-[(6-Bromohexyl)oxy]butyl}benzene-1-sulfonamide

C16H26BrNO3S

PRODUCTS

生成物

结构：CC1(C)OCc2cc(C(O)CN(CCCCCCOCCCCc3cccc(S(N)(=O)=O)c3)Cc3ccccc3)ccc2O1

HCID178431350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ec0cbc22f0c426eafe5e69df97f756d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][CH2:11][CH2:12][c:13]1[cH:14][c:15]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:16][cH:17][cH:18]1.[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[NH:30][CH2:31][CH:32]([OH:33])[c:34]1[cH:35][c:36]2[c:37]([cH:44][cH:45]1)[O:38][C:39]([CH3:42])([CH3:43])[O:40][CH2:41]2.[CH3:55][C:56]#[N:57].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][CH2:11][CH2:12][c:13]1[cH:14][c:15]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:16][cH:17][cH:18]1)[N:30]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:31][CH:32]([OH:33])[c:34]1[cH:35][c:36]2[c:37]([cH:44][cH:45]1)[O:38][C:39]([CH3:42])([CH3:43])[O:40][CH2:41]2