HRID1129166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：COC(=O)c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1

HCID42609297

Methyl 1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C15H12N2O4S

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)c1cnc2c(c1)cc(C(O)CC(C)C)n2S(=O)(=O)c1ccccc1

HCID67229034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6367cd37546e44cb86c97a356816cbce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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