HRID673795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7582

Dicyclohexylamine

C12H23N

HCID8028

Tetrahydrofuran

C4H8O

HCID11166

3-Iodo-1-propene

C3H5I

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

HCID178506623

未命名化合物

PRODUCTS

产物

反应SMILES：C=CCN(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)O

HCID12944585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b1d8620dfba14997a3fe324415ef4c64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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