HRID101527

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

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID97743

N-Carbobenzoyl-DL-valine

C13H17NO4

HCID130500

未命名化合物

HCID68622114

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-c2e1074e6973440abcbe2c958091b530
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

[B-:28]([F:29])([F:30])([F:31])[F:32].[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[OH:18].[CH2:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[O:58][P:59](=[O:60])([CH2:61][CH:62]1[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1)[CH2:68][CH:69]([CH2:70][NH2:71])[OH:72].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[ClH:50].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:18])[NH:71][CH2:70][CH:69]([CH2:68][P:59]([O:58][CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)(=[O:60])[CH2:61][CH:62]1[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1)[OH:72]