HRID96336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID17750943

(Oxan-4-yl)acetaldehyde

C7H12O2

结构：CC(C)(C)OC(=O)Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1

HCID67229343

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cnc2c(c1)cc(C(O)CC1CCOCC1)n2S(=O)(=O)c1ccccc1

HCID67229027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bffeb487230641168c778c521397f146
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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