HRID1124236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID2756058

Tert-butyl 1,4-diazepane-1-carboxylate

C10H20N2O2

HCID43156221

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1

HCID57917580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-812e52a5b693424aa754bb583fef4f7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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