HRID1120527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID117782

1-Piperidinepropanoic acid

C8H15NO2

结构：CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1

HCID215348

4,4-Dimethyl-7-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-ol

C23H34O2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCCC(C)C(C)c1cc(OC(=O)CCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCC1

HCID53853532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd1a86f003494cc38d8971582df320e0
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

[CH2:54]([Cl:55])[Cl:56].[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[CH2:8][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].[ClH:53].[N:42]1([CH2:48][CH2:49][C:50](=[O:51])[OH:52])[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH3:1][C:2]1([CH3:25])[O:3][c:4]2[c:5]([c:11]([O:24][C:50]([CH2:49][CH2:48][N:42]3[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]3)=[O:51])[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[CH2:8][CH2:9][CH2:10]2.[ClH:41]