HRID149631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)N1CCc2ccc(OCC3CCNCC3)cc2C1

HCID11279443

未命名化合物

HCID14046674

4-Chloropyridine-3-carbaldehyde

C6H4ClNO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2ccc(OCC3CCN(c4ccncc4C=O)CC3)cc2C1

HCID11201796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f36842ca43294e07b8cd2c408cb8fe02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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