HRID691398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11552

3-Methylbutanal

C5H10O

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID178418339

Butyllithium

C4H9Li

结构：COC(=O)OC1CC2=CC=C3C4CCC(C(C)CS(=O)(=O)c5ccccc5)C4(C)CCC3C2(C)C(OC(=O)OC)C1

HCID178502548

未命名化合物

PRODUCTS

生成物

结构：COC(=O)OC1CC2=CC=C3C4CCC(C(C)C(C(O)CC(C)C)S(=O)(=O)c5ccccc5)C4(C)CCC3C2(C)C(OC(=O)OC)C1

HCID178502539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fef2668567044539b49c7e43b981bda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[O:5][CH:6]1[CH2:7][CH:8]([O:37][C:38](=[O:39])[O:40][CH3:41])[CH2:9][C:10]2=[CH:11][CH:12]=[C:13]3[CH:14]4[CH2:15][CH2:16][CH:17]([CH:18]([CH2:19][S:20](=[O:21])(=[O:22])[c:23]5[cH:24][cH:25][cH:26][cH:27][cH:28]5)[CH3:29])[C:30]4([CH3:36])[CH2:31][CH2:32][CH:33]3[C:34]12[CH3:35].[CH3:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73].[CH3:81][CH2:82][O:83][CH2:84][CH3:85].[CH:42]([N-:43][CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[CH:55]([CH2:56][CH:57]([CH3:58])[CH3:59])=[O:60].[CH:74]([NH:75][CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[Cl-:61].[Li+:49].[Li:50][CH2:51][CH2:52][CH2:53][CH3:54].[NH4+:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1>>[CH3:1][O:2][C:3](=[O:4])[O:5][CH:6]1[CH2:7][CH:8]([O:37][C:38](=[O:39])[O:40][CH3:41])[CH2:9][C:10]2=[CH:11][CH:12]=[C:13]3[CH:14]4[CH2:15][CH2:16][CH:17]([CH:18]([CH:19]([S:20](=[O:21])(=[O:22])[c:23]5[cH:24][cH:25][cH:26][cH:27][cH:28]5)[CH:55]([CH2:56][CH:57]([CH3:58])[CH3:59])[OH:60])[CH3:29])[C:30]4([CH3:36])[CH2:31][CH2:32][CH:33]3[C:34]12[CH3:35]