HRID312371

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID44844

Butyric acid, 4-(diethylamino)-

C8H17NO2

结构：CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1

HCID213523

4,4-Dimethyl-7-(3-methyloctan-2-yl)-1,4-dihydro-2H-thieno[2,3-c][1]benzopyran-9-ol

C22H32O2S

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCCC(C)C(C)c1cc(OC(=O)CCCN(CC)CC)c2c(c1)OC(C)(C)C1=C2CCS1

HCID21557905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb9ed5fccbe3462898ae0801c7744f2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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