HRID2133071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID468639

未命名化合物

HCID57560105

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2ccccc2CCC(=O)N(NC(=O)c2ccco2)C(C)C)c1C

HCID57560103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a74ee2388f9d4736a567661580a72d5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][c:2]1[c:3](-[c:9]2[c:10]([CH2:15][CH2:16][C:17](=[O:18])[OH:19])[cH:11][cH:12][cH:13][cH:14]2)[cH:4][cH:5][cH:6][c:7]1[CH3:8].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH:20]([CH3:21])([CH3:22])[NH:23][NH:24][C:25](=[O:26])[c:27]1[o:28][cH:29][cH:30][cH:31]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[CH3:1][c:2]1[c:3](-[c:9]2[c:10]([CH2:15][CH2:16][C:17](=[O:18])[N:23]([CH:20]([CH3:21])[CH3:22])[NH:24][C:25](=[O:26])[c:27]3[o:28][cH:29][cH:30][cH:31]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:4][cH:5][cH:6][c:7]1[CH3:8]