HRID2341339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID15344339

未命名化合物

结构：COC(=O)C1CC(C(=O)OC(C)(C)C)NC1c1ccccc1F

HCID67656797

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cccc(NC(=O)NCC(=O)N2C(C(=O)OC(C)(C)C)CC(C(=O)OC)C2c2ccccc2F)c1

HCID178499425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1531a6d2ec2e43e2b8d132c1ba78044b
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

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