HRID110453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1001

Phenethylamine

C8H11N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID891452

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1Cl

HCID11567712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8d9c677d3c04102855f03895fc3f1d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[NH2:30].[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18][c:19]1[O:20][CH3:21].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[c:9]([C:10](=[O:12])[NH:30][CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18][c:19]1[O:20][CH3:21]