HRID2324270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(COC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1

HCID54015520

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(CO)cc2)C(OCc2ccc3ccccc3c2)C1

HCID53699338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eda2486243544d6880f67020f328d24e
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

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