HRID1220233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID97743

N-Carbobenzoyl-DL-valine

C13H17NO4

HCID68622114

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(O)CP(=O)(CC1CCCCC1)OCc1ccccc1

HCID68620944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-910da81370634143a1d7562b1e8fbd77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:34](=[O:35])([O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[NH:44][CH:45]([CH:46]([CH3:47])[CH3:48])[C:49](=[O:50])[OH:51].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][P:10](=[O:11])([CH2:12][CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:19][CH:20]([CH2:21][NH2:22])[OH:23].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:60][N:61]([CH3:62])[CH2:63][CH2:64][CH2:65][N:66]=[C:67]=[N:68][CH2:69][CH3:70].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[ClH:1].[ClH:59].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH:24][c:25]1[c:26]2[n:27][n:28][nH:29][c:30]2[cH:31][cH:32][cH:33]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][P:10](=[O:11])([CH2:12][CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:19][CH:20]([CH2:21][NH:22][C:49]([CH:45]([NH:44][C:34](=[O:35])[O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH:46]([CH3:47])[CH3:48])=[O:50])[OH:23]