HRID149953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CC(C)[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C

HCID2724529

Triisopropylsilyl trifluoromethanesulfonate

C10H21F3O3SSi

HCID21922663

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)[Si](C(C)C)(C(C)C)n1ccc(-c2ccncc2)c1-c1ccc(F)cc1

HCID21922712

4-{2-(4-Fluorophenyl)-1-[tri(propan-2-yl)silyl]-1H-pyrrol-3-yl}pyridine

C24H31FN2Si

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c818255b3d854fdcb0b957e40b64cef7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[nH:9][cH:10][cH:11][c:12]2-[c:13]2[cH:14][cH:15][n:16][cH:17][cH:18]2)[cH:6][cH:7]1.[Li:19][CH2:20][CH2:21][CH2:22][CH3:23].[Na+:42].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:58].[OH:43][C:44](=[O:45])[O-:46].[S:24]([O:25][Si:32]([CH:33]([CH3:34])[CH3:35])([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([Si:32]([CH:33]([CH3:34])[CH3:35])([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])[cH:10][cH:11][c:12]2-[c:13]2[cH:14][cH:15][n:16][cH:17][cH:18]2)[cH:6][cH:7]1