HRID2335908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

结构：COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3ccc(O)c(C(=O)N4CCOCC4)c3)cc12

HCID68617729

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1n[nH]c2ncc(-c3ccc(O)c(C(=O)N4CCOCC4)c3)cc12

HCID178489405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3642bc4f5744b19b90153dbfbfd7a98
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

[Cl:63][CH2:64][Cl:65].[K+:42].[Na+:56].[Na+:57].[O-:58][S:59](=[O:60])(=[O:61])[O-:62].[OH-:41].[OH:1][c:2]1[c:3]([C:33](=[O:34])[N:35]2[CH2:36][CH2:37][O:38][CH2:39][CH2:40]2)[cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[n:14]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[n:15][c:16]3-[c:17]2[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1.[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[OH:1][c:2]1[c:3]([C:33](=[O:34])[N:35]2[CH2:36][CH2:37][O:38][CH2:39][CH2:40]2)[cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[nH:14][n:15][c:16]3-[c:17]2[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1