HRID174373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID122205

未命名化合物

结构：Cc1cc(C)cc(C(=O)N(C)C(Cc2ccc(-c3ccno3)cc2)C(=O)O)c1

HCID21830041

2-[(3,5-Dimethylbenzoyl)-methylamino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid

C22H22N2O4

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1

HCID21460671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1984c244dcd14be08a1e5c3d3e30b322
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][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]([CH:8]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][n:19][o:20]3)[cH:14][cH:15]2)[C:21](=[O:22])[OH:23])[CH3:24])[cH:25][c:26]([CH3:28])[cH:27]1.[CH3:30][O:31][C:32]([CH:33]([NH2:34])[CH2:35][c:36]1[cH:37][nH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]12)=[O:45].[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[ClH:29].[OH:46][c:47]1[c:48]2[n:49][n:50][nH:51][c:52]2[cH:53][cH:54][cH:55]1>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]([CH:8]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][n:19][o:20]3)[cH:14][cH:15]2)[C:21](=[O:23])[NH:34][CH:33]([C:32]([O:31][CH3:30])=[O:45])[CH2:35][c:36]2[cH:37][nH:38][c:39]3[cH:40][cH:41][cH:42][cH:43][c:44]23)[CH3:24])[cH:25][c:26]([CH3:28])[cH:27]1