HRID672052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID300977

N-(2-Methoxyethyl)methylamine

C4H11NO

反应SMILES：COc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2sc(NC(=O)c3ccc(CCl)cc3)nc12

HCID20725508

未命名化合物

PRODUCTS

产物

反应SMILES：COCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3s2)cc1

HCID86588840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f2571db4ccf14ce9b8566edc4118e23e
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])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][cH:16][c:17]([O:34][CH3:35])[c:18]3[n:19][c:20]([NH:23][C:24]([c:25]4[cH:26][cH:27][c:28]([CH2:31][Cl:32])[cH:29][cH:30]4)=[O:33])[s:21][c:22]23)=[CH:12][CH2:13]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:36][O:37][CH2:38][CH2:39][NH:40][CH3:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][cH:16][c:17]([O:34][CH3:35])[c:18]3[n:19][c:20]([NH:23][C:24]([c:25]4[cH:26][cH:27][c:28]([CH2:31][N:40]([CH2:39][CH2:38][O:37][CH3:36])[CH3:41])[cH:29][cH:30]4)=[O:33])[s:21][c:22]23)=[CH:12][CH2:13]1