HRID1542620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：CCOC(=O)c1c(C)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc1O

HCID22241340

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc1OC

HCID22241415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12f70d66bcf64edd98c1a1279d2ef65b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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