HRID1136817

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

HCID18997225

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1OCC(CNCCCOc1ccc3ccc(=O)oc3c1)O2

HCID19778666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0bbf9213d704a889d951eb13e583648
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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