HRID1222277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID16731708

未命名化合物

HCID68538017

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1ccc2c(NCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

HCID59145309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11cf0720611e42e382207fdd9051a5c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:41][CH2:42][OH:43].[Cl:17][CH2:18][CH2:19][n:20]1[c:21](=[O:39])[cH:22][cH:23][c:24]([CH:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:25]1.[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:7]2[cH:8][cH:9][cH:10]1.[OH2:40]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:7]2[cH:8][cH:9][cH:10]1)[CH2:18][CH2:19][n:20]1[c:21](=[O:39])[cH:22][cH:23][c:24]([CH:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:25]1