HRID1121762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID66173

4-Thiacyclohexanone

C5H8OS

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

HCID418807

Tetrahydrothiopyran-4-ylamine

C5H11NS

HCID11790465

4-trifluoromethylnicotinoyl chloride

C7H3ClF3NO

PRODUCTS

生成物

HCID11680848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10b6214f7f8641709f94136d2a5f7af9
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

[Al+3:16].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[F:21][C:22]([c:23]1[cH:24][cH:25][n:26][cH:27][c:28]1[C:29](=[O:30])[Cl:31])([F:32])[F:33].[H-:15].[H-:18].[H-:19].[H-:20].[Li+:17].[NH2:1][CH:2]1[CH2:3][CH2:4][S:5][CH2:6][CH2:7]1.[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[S:8]1[CH2:9][CH2:10][C:11](=[O:12])[CH2:13][CH2:14]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][S:5][CH2:6][CH2:7]1)[C:29]([c:28]1[c:23]([C:22]([F:21])([F:32])[F:33])[cH:24][cH:25][n:26][cH:27]1)=[O:30]