HRID1557268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2799322

1-Benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride

C15H17ClN2O

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCN)CC2)c1

HCID16755868

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCNC(=O)c3cc(C(C)(C)C)nn3Cc3ccccc3)CC2)c1

HCID22049603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68859f8c331846019bbf3e88163d0f82
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

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