HRID2348143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1001

Phenethylamine

C8H11N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)O)cc1Cl

HCID57796899

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)NCCc2ccccc2)cc1Cl

HCID11569612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7bfb771e4934d06a0ed7d50c3a0691b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:48]([CH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[NH2:56].[CH:29]([N:30]=[C:31]=[N:32][CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[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][c:14]([O:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:15][cH:16]2)[cH:24][cH:25][c:26]1[O:27][CH3:28].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[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:56][CH2:48][CH2:49][c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[cH:13][c:14]([O:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:15][cH:16]2)[cH:24][cH:25][c:26]1[O:27][CH3:28]