HRID126564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4778193

N-(4-Fluorophenyl)-4-piperidinamine

C11H15FN2

结构：CC1CN(Cc2ccc(C(C)(C)C(=O)O)cc2)CC(C)N1C(=O)OC(C)(C)C

HCID69108017

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CC(C)N1C(=O)OC(C)(C)C

HCID178430293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c13f1baa743246e3ae59069898b54d46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH3:28])[CH2:10][N:11]([CH2:15][c:16]2[cH:17][cH:18][c:19]([C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:20][cH:21]2)[CH2:12][CH:13]1[CH3:14].[CH:29]1([N:30]=[C:31]=[N:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[Cl:73][CH2:74][Cl:75].[F:54][c:55]1[cH:56][cH:57][c:58]([NH:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:59][cH:60]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH3:28])[CH2:10][N:11]([CH2:15][c:16]2[cH:17][cH:18][c:19]([C:22]([C:23](=[O:25])[N:65]3[CH2:64][CH2:63][CH:62]([NH:61][c:58]4[cH:57][cH:56][c:55]([F:54])[cH:60][cH:59]4)[CH2:67][CH2:66]3)([CH3:26])[CH3:27])[cH:20][cH:21]2)[CH2:12][CH:13]1[CH3:14]