HRID208652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4778195

N-(3-fluorophenyl)piperidin-4-amine

C11H15FN2

结构：CC1CN(Cc2ccc(CC(=O)O)cc2)CCN1C(=O)OCc1ccccc1

HCID178430305

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1C(=O)OCc1ccccc1

HCID178430299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3c00bf3936b4c7a85bf8b6dab58979e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][CH:2]1[CH2:3][N:4]([CH2:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][C:26](=[O:27])[OH:28])[cH:23][cH:24]2)[CH2:5][CH2:6][N:7]1[C:8](=[O:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[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:68][CH2:69][Cl:70].[Cl:76][CH2:77][Cl:78].[F:54][c:55]1[cH:56][c:57]([NH:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:58][cH:59][cH:60]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[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][CH:2]1[CH2:3][N:4]([CH2:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][C:26](=[O:27])[N:65]3[CH2:64][CH2:63][CH:62]([NH:61][c:57]4[cH:56][c:55]([F:54])[cH:60][cH:59][cH:58]4)[CH2:67][CH2:66]3)[cH:23][cH:24]2)[CH2:5][CH2:6][N:7]1[C:8](=[O:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1