HRID1549128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：O=C(NCCCCC(NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1

HCID98197

Z-DL-Lys(Z)-OH

C22H26N2O6

HCID13586794

未命名化合物

结构：CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)N)C(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(O)C1O

HCID178446533

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(O)C1O

HCID178446531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c43db916e90a4823a182e3af2003ccc0
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

[CH2:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[O:51][C:52](=[O:53])[NH:54][CH:55]([CH2:56][CH2:57][CH2:58][CH2:59][NH:60][C:61](=[O:62])[O:63][CH2:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[C:71](=[O:72])[OH:73].[CH2:74]([P:75]([C:76]#[N:77])([CH2:78][CH3:79])=[O:80])[CH3:81].[CH3:82][CH2:83][N:84]([CH2:85][CH3:86])[CH2:87][CH3:88].[CH3:89][N:90]([CH3:91])[CH:92]=[O:93].[ClH:1].[NH2:2][CH:3]([CH3:4])[C:5](=[O:6])[NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[C:16](=[O:17])[NH:18][CH:19]([CH:20]([CH3:21])[CH2:22][CH3:23])[C:24](=[O:25])[O:26][CH2:27][CH:28]1[CH:29]([OH:43])[CH:30]([OH:42])[CH:31]([n:33]2[c:34](=[O:35])[nH:36][c:37](=[O:38])[c:39]([F:41])[cH:40]2)[O:32]1>>[NH:2]([CH:3]([CH3:4])[C:5](=[O:6])[NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[C:16](=[O:17])[NH:18][CH:19]([CH:20]([CH3:21])[CH2:22][CH3:23])[C:24](=[O:25])[O:26][CH2:27][CH:28]1[CH:29]([OH:43])[CH:30]([OH:42])[CH:31]([n:33]2[c:34](=[O:35])[nH:36][c:37](=[O:38])[c:39]([F:41])[cH:40]2)[O:32]1)[C:71]([CH:55]([NH:54][C:52]([O:51][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:53])[CH2:56][CH2:57][CH2:58][CH2:59][NH:60][C:61](=[O:62])[O:63][CH2:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)=[O:72]