HRID689203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID591524

2-Hydroxy-6-methoxybenzoic acid

C8H8O4

结构：CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)CN(c2nc(Nc3ccc(N)c(OCc4ccccc4)c3)nc(N3CC(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3)n2)C1

HCID178452883

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(O)c1C(=O)Nc1ccc(Nc2nc(N3CC(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3)nc(N3CC(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3)n2)cc1OCc1ccccc1

HCID178491271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7041174fe840488abd701b5e66927279
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][c:45]1[c:46]([NH2:102])[cH:47][cH:48][c:49]([NH:51][c:52]2[n:53][c:54]([N:80]3[CH2:81][CH:82]([NH:94][C:95](=[O:96])[O:97][C:98]([CH3:99])([CH3:100])[CH3:101])[CH2:83][CH:84]([NH:86][C:87](=[O:88])[O:89][C:90]([CH3:91])([CH3:92])[CH3:93])[CH2:85]3)[n:55][c:56]([N:58]3[CH2:59][CH:60]([NH:72][C:73](=[O:74])[O:75][C:76]([CH3:77])([CH3:78])[CH3:79])[CH2:61][CH:62]([NH:64][C:65](=[O:66])[O:67][C:68]([CH3:69])([CH3:70])[CH3:71])[CH2:63]3)[n:57]2)[cH:50]1.[O:103]=[CH:104][N:105]([CH3:106])[CH3:107].[OH:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([O:11][CH3:12])[cH:8][cH:9][cH:10]1.[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[OH:1][c:2]1[c:3]([C:4](=[O:6])[NH:102][c:46]2[c:45]([O:44][CH2:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[cH:50][c:49]([NH:51][c:52]3[n:53][c:54]([N:80]4[CH2:81][CH:82]([NH:94][C:95](=[O:96])[O:97][C:98]([CH3:99])([CH3:100])[CH3:101])[CH2:83][CH:84]([NH:86][C:87](=[O:88])[O:89][C:90]([CH3:91])([CH3:92])[CH3:93])[CH2:85]4)[n:55][c:56]([N:58]4[CH2:59][CH:60]([NH:72][C:73](=[O:74])[O:75][C:76]([CH3:77])([CH3:78])[CH3:79])[CH2:61][CH:62]([NH:64][C:65](=[O:66])[O:67][C:68]([CH3:69])([CH3:70])[CH3:71])[CH2:63]4)[n:57]3)[cH:48][cH:47]2)[c:7]([O:11][CH3:12])[cH:8][cH:9][cH:10]1