HRID1118041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14917

Hydrogen fluoride

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CNCC(O)c2ccc(O)c(CO[Si](C)(C)C(C)(C)C)c2)c1

HCID178437496

未命名化合物

结构：[N-]=[N+]=NCC(O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

HCID178514601

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CNCC(O)c2ccc(O)c(CO)c2)c1

HCID66989873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98c7c7ebf72848239e1fb7f076f08365
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:33]([Si:34]([CH3:35])([CH3:36])[O:38][CH2:39][c:40]1[cH:41][c:42]([CH:47]([CH2:48][NH:49][CH2:50][c:51]2[cH:52][c:53]([C:54](=[O:55])[NH:56][CH2:57][c:58]3[c:59]([NH:71][CH:72]4[CH2:73][CH2:74][O:75][CH2:76][CH2:77]4)[c:60]4[c:61]([n:62][c:63]3[CH2:64][CH3:65])[n:66]([CH2:69][CH3:70])[n:67][cH:68]4)[cH:78][cH:79][cH:80]2)[OH:81])[cH:43][cH:44][c:45]1[OH:46])([CH3:37])([CH3:82])[CH3:83].[FH:26].[N:1]([CH2:2][CH:3]([c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[c:17]1[cH:18][cH:19][c:20](=[O:21])[nH:22]2)[OH:23])=[N+:24]=[N-:25].[cH:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1>>[OH:38][CH2:39][c:40]1[cH:41][c:42]([CH:47]([CH2:48][NH:49][CH2:50][c:51]2[cH:52][c:53]([C:54](=[O:55])[NH:56][CH2:57][c:58]3[c:59]([NH:71][CH:72]4[CH2:73][CH2:74][O:75][CH2:76][CH2:77]4)[c:60]4[c:61]([n:62][c:63]3[CH2:64][CH3:65])[n:66]([CH2:69][CH3:70])[n:67][cH:68]4)[cH:78][cH:79][cH:80]2)[OH:81])[cH:43][cH:44][c:45]1[OH:46]