HRID1117810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID67356186

未命名化合物

结构：CC(C)(C)OC(=O)CCC(NC(=O)NC(CCCCNC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID87443607

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1CN(CCCCC(NC(=O)CCCCCCC(=O)NCCCCC(NC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O)Cc1nccn1C

HCID75183416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34b04a7a5e064faa896acbe761fc8171
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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