HRID2328434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID3081942

4-Fluorobenzenesulfonyl fluoride

C6H4F2O2S

HCID3532980

1-Boc-indole

C13H15NO2

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1c(S(=O)(=O)c2ccc(F)cc2)cc2ccccc21

HCID21021922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77f290f3a66a4d5cb022a6fa1acc2272
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:17]([Li:18])([CH3:19])([CH3:20])[CH3:21].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:22][CH2:23][CH2:24][CH2:25][CH3:26].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl-:38].[F:27][c:28]1[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[F:37])[cH:32][cH:33]1.[NH4+:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([S:34]([c:31]2[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]2)(=[O:35])=[O:36])[cH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12