HRID213955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID79872

4-Morpholinebutanoic acid (9CI)

C8H15NO3

结构：C#CCN1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCCC)cc1OC2(C)C

HCID99040

5,5-Dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-yn-1-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol

C26H37NO2

PRODUCTS

生成物

结构：C#CCN1CCC2=C(C1)c1c(OC(=O)CCCN3CCOCC3)cc(C(C)C(C)CCCCC)cc1OC2(C)C

HCID21418134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53b73569d9dc46ba96e9e01296824fef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:58]([Cl:59])[Cl:60].[CH3:1][C:2]1([CH3:29])[O:3][c:4]2[c:5]([c:6]([OH:19])[cH:7][c:8]([CH:10]([CH3:11])[CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH3:18])[cH:9]2)[C:20]2=[C:21]1[CH2:22][CH2:23][N:24]([CH2:26][C:27]#[CH:28])[CH2:25]2.[CH3:61][OH:62].[CH:43]1([N:44]=[C:45]=[N:46][CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[Cl:63][CH:64]([Cl:65])[Cl:66].[ClH:30].[O:31]1[CH2:32][CH2:33][N:34]([CH2:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42])[CH2:35][CH2:36]1>>[CH3:1][C:2]1([CH3:29])[O:3][c:4]2[c:5]([c:6]([O:19][C:40]([CH2:39][CH2:38][CH2:37][N:34]3[CH2:33][CH2:32][O:31][CH2:36][CH2:35]3)=[O:41])[cH:7][c:8]([CH:10]([CH3:11])[CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH3:18])[cH:9]2)[C:20]2=[C:21]1[CH2:22][CH2:23][N:24]([CH2:26][C:27]#[CH:28])[CH2:25]2