HRID1561296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID200382

Phenethylamine, 4-(benzyloxy)-3-methoxy-

C16H19NO2

HCID270655

Boc-DL-valine

C10H19NO4

PRODUCTS

生成物

结构：COc1cc(CCNC(=O)C(NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1

HCID178491213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b76d6e3df2949bf8562e422e2230db3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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