HRID92036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

HCID2852887

methyl 3-aminoadamantane-1-carboxylate

C12H19NO2

2 次

PRODUCTS

生成物

结构：COC(=O)C12CC3CC(CC(N)(C3)C1C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C2

HCID70567278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-351247d49fb040aba4d83c1ddcb77e8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[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].[CH2:27]([O:28][C:29]([Cl:30])=[O:31])[CH:32]([CH3:33])[CH3:34].[CH3:20][N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:35].[NH2:36][C:37]12[CH2:38][C:39]3([C:47](=[O:48])[O:49][CH3:50])[CH2:40][CH:41]([CH2:42][CH:43]([CH2:44]1)[CH2:45]3)[CH2:46]2.[NH2:51][C:52]12[CH2:53][CH:54]3[CH2:55][CH:56]([CH2:57][C:58]([C:59]([O:60][CH3:61])=[O:62])([CH2:63]3)[CH2:64]1)[CH2:65]2.[OH2:71]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:19])[CH:38]1[C:37]2([NH2:36])[CH2:44][CH:43]3[CH2:42][CH:41]([CH2:40][C:39]1([C:47](=[O:48])[O:49][CH3:50])[CH2:45]3)[CH2:46]2