HRID668984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID3776

Isopropanol

C3H8O

结构：C=C(C)n1c(=O)n(CC(C)CN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)c2ccccc21

HCID20385609

未命名化合物

PRODUCTS

生成物

结构：CC(CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)Cn1c(=O)[nH]c2ccccc21

HCID20385586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e64a023b280847789bef7c167f7f9646
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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