HRID308453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID12308

3-Bromo-1-propanol

C3H7BrO

结构：CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCNCC3)cc2)CC1

HCID54032127

未命名化合物

PRODUCTS

生成物

结构：CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCN(CCCO)CC3)cc2)CC1

HCID57274010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfb63290729c45a7b2245cb43a75d1bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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