HRID2345132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：CN(CC1(O)CCN(CCc2ccc(C#N)cc2)CC1)c1ccc(C(=O)NOC2CCCCO2)cc1

HCID86603345

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(CC1(O)CCN(CCc2ccc(C#N)cc2)CC1)c1ccc(C(=O)NO)cc1

HCID86603347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8841e06d3fca4fdaa6c2ddb4ede3beac
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

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][C:14]([OH:17])([CH2:18][N:19]([c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][O:27][CH:28]4[CH2:29][CH2:30][CH2:31][CH2:32][O:33]4)[cH:34][cH:35]3)[CH3:36])[CH2:15][CH2:16]2)[cH:7][cH:8]1.[CH3:38][OH:39].[ClH:37]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][C:14]([OH:17])([CH2:18][N:19]([c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][OH:27])[cH:34][cH:35]3)[CH3:36])[CH2:15][CH2:16]2)[cH:7][cH:8]1.[ClH:37]