HRID136254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID118927

1-Chloro-3-methoxypropane

C4H9ClO

HCID166653

Hydride

H-

HCID68499829

未命名化合物

PRODUCTS

产物

HCID68501531

Benzyl 3-[7-bromo-1-(3-methoxypropyl)-3-methyl-1H-indol-6-yl methoxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

C44H51BrN2O7

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6b3656ced30c419cb9f47d5efa12c0f3
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

[Br:1][c:2]1[c:3]([CH2:12][O:13][CH:14]2[CH2:15][N:16]([C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:17][CH2:18][CH:19]2[c:20]2[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][O:30][CH2:31][c:32]3[c:33]([O:38][CH3:39])[cH:34][cH:35][cH:36][cH:37]3)[cH:24][cH:25]2)[cH:4][cH:5][c:6]2[c:7]([CH3:11])[cH:8][nH:9][c:10]12.[CH2:69]([N+:70]([CH2:71][CH2:72][CH2:73][CH3:74])([CH2:75][CH2:76][CH2:77][CH3:78])[CH2:79][CH2:80][CH2:81][CH3:82])[CH2:83][CH2:84][CH3:85].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Cl:52][CH2:53][CH2:54][CH2:55][O:56][CH3:57].[H-:50].[I-:68].[Na+:51].[Na+:58].[OH:59][C:60](=[O:61])[O-:62]>>[Br:1][c:2]1[c:3]([CH2:12][O:13][CH:14]2[CH2:15][N:16]([C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:17][CH2:18][CH:19]2[c:20]2[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][O:30][CH2:31][c:32]3[c:33]([O:38][CH3:39])[cH:34][cH:35][cH:36][cH:37]3)[cH:24][cH:25]2)[cH:4][cH:5][c:6]2[c:7]([CH3:11])[cH:8][n:9]([CH2:53][CH2:54][CH2:55][O:56][CH3:57])[c:10]12