HRID184977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

HCID217958

3,4-Dichlorophenethylamine

C8H9Cl2N

HCID596012

2,2-Dimethyl-benzo[1,3]dioxole-5-carbaldehyde

C10H10O3

结构：Fc1ccc(CCNCc2ccc(C3CC3)cc2)cc1C(F)(F)F

HCID69342889

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Oc2ccc(CNCCc3ccc(Cl)c(Cl)c3)cc2O1

HCID69346783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44fc5274b8644b808d0cb0cfe478f9df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH4-:49].[CH3:25][C:26]1([CH3:37])[O:27][c:28]2[c:29]([cH:31][cH:32][c:33]([CH:35]=[O:36])[cH:34]2)[O:30]1.[CH:1]1([c:2]2[cH:3][cH:4][c:5]([CH2:6][NH:7][CH2:8][CH2:9][c:10]3[cH:11][cH:12][c:13]([F:14])[c:15]([C:16]([F:17])([F:18])[F:19])[cH:20]3)[cH:21][cH:22]2)[CH2:23][CH2:24]1.[Cl:38][c:39]1[cH:40][c:41]([CH2:46][CH2:47][NH2:48])[cH:42][cH:43][c:44]1[Cl:45].[Na+:50]>>[CH3:25][C:26]1([CH3:37])[O:27][c:28]2[c:29]([cH:31][cH:32][c:33]([CH2:35][NH:48][CH2:47][CH2:46][c:41]3[cH:40][c:39]([Cl:38])[c:44]([Cl:45])[cH:43][cH:42]3)[cH:34]2)[O:30]1