HRID214628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID351291

5-Nitroindole-2-carboxylic acid

C9H6N2O4

HCID1477128

5-Nitrobenzofuran-2-carboxylic acid

C9H5NO5

结构：N=C(N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CNC(=N)N)ccc4[nH]3)ccc2[nH]1

HCID178513006

未命名化合物

结构：N=C(N)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CNC(=N)N)ccc4o3)ccc2[nH]1

HCID178513007

未命名化合物

PRODUCTS

生成物

结构：N=C(N)NCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)NCCN)cc4c3)cc2c1

HCID178513018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d126516855b84c048760f03dc3c862b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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