HRID1236985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID1119

Sulfur dioxide

O2S

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8058

n-Hexane

C6H14

HCID8078

Cyclohexane

C6H12

HCID76284

Sulfuric acid, monoazanyl ester

H3NO4S

HCID346975

N,N-diethyl-2-methoxybenzamide

C12H17NO2

HCID178418400

未命名化合物

PRODUCTS

生成物

HCID14984039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a68158fcffcc4303b01b6576ad2598e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH2:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[CH3:14][O:15][c:16]1[c:17]([C:18](=[O:19])[N:20]([CH2:21][CH3:22])[CH2:23][CH3:24])[cH:25][cH:26][cH:27][cH:28]1.[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][N:6]([CH3:7])[CH3:8].[CH3:33][C:34](=[O:35])[O-:36].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH:9]([Li:10])([CH2:11][CH3:12])[CH3:13].[NH2:37][O:38][S:39]([OH:40])(=[O:41])=[O:42].[Na+:32].[O:29]=[S:30]=[O:31]>>[CH3:14][O:15][c:16]1[c:17]([C:18](=[O:19])[N:20]([CH2:21][CH3:22])[CH2:23][CH3:24])[c:25]([S:30](=[O:29])(=[O:31])[NH2:37])[cH:26][cH:27][cH:28]1