HRID304507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID3864656

4-(2-chlorophenoxy)piperidine

C11H14ClNO

结构：O=C(O)C1(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1

HCID57874368

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(-c2ccccc2)cc1)C1(C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1

HCID57874405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-156b4dc661d447388f5d8ab916fabca9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[Cl:33][c:34]1[c:35]([O:36][CH:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:43][cH:44][cH:45][cH:46]1.[ClH:31].[ClH:32].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[c:47]1(-[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:48][cH:49][c:50]([NH:53][C:54](=[O:55])[C:56]2([C:59](=[O:60])[OH:61])[CH2:57][CH2:58]2)[cH:51][cH:52]1>>[Cl:33][c:34]1[c:35]([O:36][CH:37]2[CH2:38][CH2:39][N:40]([C:59]([C:56]3([C:54]([NH:53][c:50]4[cH:49][cH:48][c:47](-[c:62]5[cH:63][cH:64][cH:65][cH:66][cH:67]5)[cH:52][cH:51]4)=[O:55])[CH2:57][CH2:58]3)=[O:60])[CH2:41][CH2:42]2)[cH:43][cH:44][cH:45][cH:46]1