HRID297348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID151417

Glycine tert-butyl ester

C6H13NO2

结构：CCOC(=O)C1=C(O)c2cc(Cl)ccc2C2(CCC3(CC2)OCC(C)(C)CO3)C1=O

HCID67099722

未命名化合物

PRODUCTS

生成物

结构：CC1(C)COC2(CCC3(CC2)C(=O)C(C(=O)NCC(=O)OC(C)(C)C)=C(O)c2cc(Cl)ccc23)OC1

HCID67099705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dff029d97a934ffea54bab26e8240df9
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

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