HRID802502

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

HCID4778195

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

C11H15FN2

结构：COc1cc(CC(=O)O)ccc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1

HCID178491631

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC(=O)N2CCC(Nc3cccc(F)c3)CC2)ccc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1

HCID178491575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e019a1af72ca409fba369c7c3ce0a648
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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