HRID2344712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID58345603

未命名化合物

PRODUCTS

生成物

结构：COc1cc(I)c(C(=O)N2CCCCC2)cc1OCc1ccccc1

HCID58345609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-019be05edaae4286a45feec76dc956fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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