HRID146903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

结构：CC(C)c1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCCc3c(O)cccc32)cc1

HCID10275167

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCCc3c(OCCCN(C)C)cccc32)cc1

HCID17854505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdc35d488d9c4f3bbb801c19a208e91f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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