HRID90799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID1900666

2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-

C12H11ClO3

HCID19778680

未命名化合物

PRODUCTS

生成物

结构：O=c1ccc2ccc(OCCCNCC3COc4cc(OCc5ccccc5)ccc4O3)cc2o1

HCID19778675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d5ca6dc615f43228dcab0faf596ffee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12]([cH:19][cH:20]1)[O:13][CH:14]([CH2:17][NH2:18])[CH2:15][O:16]2.[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[Cl:21][CH2:22][CH2:23][CH2:24][O:25][c:26]1[cH:27][cH:28][c:29]2[cH:30][cH:31][c:32](=[O:36])[o:33][c:34]2[cH:35]1.[I-:47].[Na+:46].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12]([cH:19][cH:20]1)[O:13][CH:14]([CH2:17][NH:18][CH2:22][CH2:23][CH2:24][O:25][c:26]1[cH:27][cH:28][c:29]3[cH:30][cH:31][c:32](=[O:36])[o:33][c:34]3[cH:35]1)[CH2:15][O:16]2