HRID1149709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)CCCCC(=NOCc1ccc(OCc2noc(-c3ccccc3)n2)cc1)c1ccccc1

HCID53983118

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCCCC(=NOCc1ccc(OCc2noc(-c3ccccc3)n2)cc1)c1ccccc1

HCID54459709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1d3d806694845b3945f57610516f4c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[ClH:42].[Li+:3].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:2].[OH2:1].[c:4]1([C:10]([CH2:11][CH2:12][CH2:13][CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])=[N:20][O:21][CH2:22][c:23]2[cH:24][cH:25][c:26]([O:29][CH2:30][c:31]3[n:32][o:33][c:34](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[n:35]3)[cH:27][cH:28]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[c:4]1([C:10]([CH2:11][CH2:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])=[N:20][O:21][CH2:22][c:23]2[cH:24][cH:25][c:26]([O:29][CH2:30][c:31]3[n:32][o:33][c:34](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[n:35]3)[cH:27][cH:28]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1