HRID86407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

HCID6485772

3-(4-chlorophenyl)propan-1-amine

C9H12ClN

HCID9813382

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2ccc(C3CCC(NCCCc4ccc(Cl)cc4)CC3)cc2o1

HCID22669146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7230314760754366b9e360915cea94e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH4-:37].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:39][CH:40]([OH:41])[CH3:42].[CH:20]1([c:27]2[cH:28][c:29]3[c:30]([nH:31][c:32](=[O:34])[o:33]3)[cH:35][cH:36]2)[CH2:21][CH2:22][C:23](=[O:26])[CH2:24][CH2:25]1.[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][CH2:11][NH2:12])[cH:7][cH:8]1.[ClH:1].[Na+:38]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][CH2:11][NH:12][CH:23]2[CH2:22][CH2:21][CH:20]([c:27]3[cH:28][c:29]4[c:30]([nH:31][c:32](=[O:34])[o:33]4)[cH:35][cH:36]3)[CH2:25][CH2:24]2)[cH:7][cH:8]1