HRID1566882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID416960

Methyl 2-amino-3-hydroxypropanoate

C4H9NO3

结构：CC(NP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCC1C(=O)O

HCID23320611

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(C)NP(=O)(Cc1ccccc1)Cc1ccccc1

HCID178500953

methyl 2-[[1-[2-(dibenzylphosphorylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoate

C26H34N3O6P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d36613e96cb4f8a8bf96544b678d5e0
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[P:8](=[O:9])([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[NH:17][CH:18]([CH3:19])[C:20](=[O:21])[N:22]1[CH:23]([C:24](=[O:25])[OH:26])[CH2:27][CH2:28][CH2:29]1.[CH3:41][O:42][C:43]([CH:44]([NH2:45])[CH2:46][OH:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[ClH:40].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[P:8](=[O:9])([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[NH:17][CH:18]([CH3:19])[C:20](=[O:21])[N:22]1[CH:23]([C:24](=[O:25])[NH:45][CH:44]([C:43]([O:42][CH3:41])=[O:48])[CH2:46][OH:47])[CH2:27][CH2:28][CH2:29]1