HRID102271

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+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1ccc2cc(-c3ccc(OCc4c(COc5c(C)cccc5C)noc4C(C)C)cc3)ccc2n1

HCID59321594

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1OCc1noc(C(C)C)c1COc1ccc(-c2ccc3nc(C(=O)O)ccc3c2)cc1

HCID59321523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68f37d36435740d38756d48242002413
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

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