HRID2129330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8298

3,3,5-Trimethylcyclohexanol

C9H18O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O

HCID39042

Bezafibrate

C19H20ClNO4

PRODUCTS

生成物

结构：CC1CC(OC(=O)C(C)(C)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)CC(C)(C)C1

HCID19025873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d304c67d7e14cdf96fa4d3c3bc47ced
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

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