HRID2159549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID872445

1-[(4-Chlorophenyl)methyl]-1H-indole-3-carbaldehyde

C16H12ClNO

结构：Cc1ccc(S(=O)(=O)c2c(-c3ccccn3)ncn2COCC[Si](C)(C)C)cc1

HCID12146871

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)c2c(-c3ccccn3)nc(C(O)c3cn(Cc4ccc(Cl)cc4)c4ccccc34)n2COCC[Si](C)(C)C)cc1

HCID12146872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c93aa14608104793b4a9f73c5dc49fbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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