HRID167777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2758013

3-cyclopropylpropanoic Acid

C6H10O2

结构：COc1ccc(CN2CCC3(CCN(CC4CNCC4c4ccccc4)CC3)C2=O)cc1

HCID67368996

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCC3(CCN(CC4CN(C(=O)CC5CC5)CC4c4ccccc4)CC3)C2=O)cc1

HCID67367973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f668fe557cd4c59a424d60b1a933301
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

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