HRID1537572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)Cc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)c(OC)c1

HCID86591686

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2nn(-c3ccccc3)cc2CC(=O)O)ccc1OCc1nc(-c2ccccc2)oc1C

HCID69431218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9819ff0aa438426db5fa2474437ae6ea
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

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:11][c:12]2[CH2:13][C:14](=[O:15])[O:16][CH3:17])[cH:24][cH:25][c:26]1[O:27][CH2:28][c:29]1[n:30][c:31](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[o:32][c:33]1[CH3:34].[CH3:49][CH2:50][OH:51].[ClH:48].[Na+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:41]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:11][c:12]2[CH2:13][C:14](=[O:15])[OH:16])[cH:24][cH:25][c:26]1[O:27][CH2:28][c:29]1[n:30][c:31](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[o:32][c:33]1[CH3:34]