HRID117338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID166653

Hydride

H-

HCID13134991

4-(Hexadecylamino)-2-thiophenecarbonitrile

C21H36N2S

HCID16686348

未命名化合物

PRODUCTS

生成物

HCID13134992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a069aba87bbd4519a9d3a777349cd392
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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