HRID2338220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID81531

Diisopropylethylamine

C8H19N

结构：O=c1ccc2ccc(OCCCNCC3COc4cc5c(cc4O3)OCO5)cc2o1

HCID19778683

未命名化合物

PRODUCTS

生成物

结构：CCN(CCCOc1ccc2ccc(=O)oc2c1)CC1COc2cc3c(cc2O1)OCO3

HCID178464180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbc4ce965f3e4d81854f8f5beb0fbbf0
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

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