HRID2151991

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：CCOC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)nc1OCc1nc(-c2ccccc2)oc1C

HCID23025080

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1COc1nn(Cc2ccc(Oc3ccccc3)cc2)cc1C(=O)O

HCID23025032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d73b42c96cd7456a95adc9ddf326c256
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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