HRID313992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC(O)Cc1ccc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)NCc2cccc(N)c2)cc1

HCID57842720

未命名化合物

结构：CC(O)Cc1ccc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1

HCID57842733

未命名化合物

PRODUCTS

生成物

结构：CC(O)Cc1ccc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)NCc2cccc(N)c2)cc1

HCID57842727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62d310fb717d41159118a732f6409e6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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