HRID673592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53167

1-Methylpiperazine

C5H12N2

反应SMILES：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccnc(Cl)n2)cc1

HCID86599911

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCN(c2nccc(-c3ccc(C(=O)Nc4ccccc4NC(=O)OC(C)(C)C)cc3)n2)CC1

HCID68407682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b20919f604ec4719b0b13c896924d9bd
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])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][c:25]([Cl:29])[n:26][cH:27][cH:28]3)[cH:21][cH:22]2)=[O:30])[cH:11][cH:12][cH:13][cH:14]1.[CH3:31][N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][c:25]([N:35]4[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]4)[n:26][cH:27][cH:28]3)[cH:21][cH:22]2)=[O:30])[cH:11][cH:12][cH:13][cH:14]1