HRID1545692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCCCCCCNCC(O[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12

HCID66990008

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)CCCCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12

HCID66989961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5804c9332d346d088711e688729db5f
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

[C:26]([Si:27]([CH3:28])([CH3:29])[O:31][CH:32]([CH2:33][NH:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][C:42](=[O:43])[NH:44][CH2:45][c:46]1[c:47]([NH:59][CH:60]2[CH2:61][CH2:62][O:63][CH2:64][CH2:65]2)[c:48]2[c:49]([n:50][c:51]1[CH2:52][CH3:53])[n:54]([CH2:57][CH3:58])[n:55][cH:56]2)[c:66]1[c:67]2[cH:68][cH:69][c:70](=[O:77])[nH:71][c:72]2[c:73]([OH:76])[cH:74][cH:75]1)([CH3:30])([CH3:78])[CH3:79].[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]>>[OH:31][CH:32]([CH2:33][NH:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][C:42](=[O:43])[NH:44][CH2:45][c:46]1[c:47]([NH:59][CH:60]2[CH2:61][CH2:62][O:63][CH2:64][CH2:65]2)[c:48]2[c:49]([n:50][c:51]1[CH2:52][CH3:53])[n:54]([CH2:57][CH3:58])[n:55][cH:56]2)[c:66]1[c:67]2[cH:68][cH:69][c:70](=[O:77])[nH:71][c:72]2[c:73]([OH:76])[cH:74][cH:75]1