HRID698774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID103959

Phenyl N-phenylphosphoramidochloridate

C12H11ClNO2P

HCID408343

Diethyl 2-aminopentanedioate

C9H17NO4

结构：CC(=O)Nc1nc(O)c2cc(C=Cc3ccc(C(=O)O)cc3)cnc2n1

HCID178474467

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCC(NC(=O)c1ccc(C=Cc2cnc3nc(NC(C)=O)nc(O)c3c2)cc1)C(=O)OCC

HCID178471623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1a609eea1dd4302a8476bacfdf8d18c
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

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][c:7]([OH:26])[c:8]2[c:9]([n:10]1)[n:11][cH:12][c:13]([CH:15]=[CH:16][c:17]1[cH:18][cH:19][c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]1)[cH:14]2.[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:66][N:67]1[CH2:68][CH2:69][CH2:70][C:71]1=[O:72].[ClH:51].[NH2:52][CH:53]([CH2:54][CH2:55][C:56](=[O:57])[O:58][CH2:59][CH3:60])[C:61](=[O:62])[O:63][CH2:64][CH3:65].[c:34]1([NH:35][P:36]([Cl:37])(=[O:38])[O:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][c:7]([OH:26])[c:8]2[c:9]([n:10]1)[n:11][cH:12][c:13]([CH:15]=[CH:16][c:17]1[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:52][CH:53]([CH2:54][CH2:55][C:56](=[O:57])[O:58][CH2:59][CH3:60])[C:61](=[O:62])[O:63][CH2:64][CH3:65])[cH:21][cH:22]1)[cH:14]2