HRID1547958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2760995

N,N-Dimethyloxamic acid

C4H7NO3

反应SMILES：CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(N)CC1

HCID57904834

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(NC(=O)C(=O)N(C)C)CC1

HCID66588776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-64508664605a4b31995f422498aae0b2
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

[CH3:31][N:32]([C:33]([C:34](=[O:35])[OH:36])=[O:37])[CH3:38].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[ClH:1].[NH2:2][C:3]12[c:4]3[n:5]([c:12](=[O:30])[c:13]([O:21][C:22](=[O:23])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:15]3)[CH2:6][CH:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:48]>>[NH:2]([C:3]12[c:4]3[n:5]([c:12](=[O:30])[c:13]([O:21][C:22](=[O:23])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:15]3)[CH2:6][CH:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2)[C:34]([C:33]([N:32]([CH3:31])[CH3:38])=[O:37])=[O:35]