HRID111713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11379587

3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzdiazepin-2-one

C14H19N3O

结构：CCc1ccc(CC(N)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1CC

HCID68578927

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1CC

HCID178436292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da958f1ed8cf4d32ba1909ef08f45913
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:47]1[CH2:49][CH2:48][CH2:50][O:51]1.[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH:8]([N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[CH2:9][CH2:10]1)[CH2:18][c:19]1[cH:20][c:21]([CH2:27][CH3:28])[c:22]([CH2:25][CH3:26])[cH:23][cH:24]1.[NH:29]1[CH2:30][CH2:31][CH:32]([N:35]2[C:36](=[O:46])[NH:37][c:38]3[c:39]([cH:42][cH:43][cH:44][cH:45]3)[CH2:40][CH2:41]2)[CH2:33][CH2:34]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH:8]([N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[CH2:9][CH2:10]1)[CH2:18][c:19]1[cH:20][c:21]([CH2:27][CH3:28])[c:22]([CH2:25][CH3:26])[cH:23][cH:24]1)[C:50]([N:29]1[CH2:30][CH2:31][CH:32]([N:35]2[C:36](=[O:46])[NH:37][c:38]3[c:39]([cH:42][cH:43][cH:44][cH:45]3)[CH2:40][CH2:41]2)[CH2:33][CH2:34]1)=[O:51]