Chloride → 1-(2-(Indan-1-yl)ethyl)-4-(3,4-dimethoxyphenyl)piperidine

HRID 2162462Notes

Reaction equation

HRID 2162462 reaction equation
[Al+3:2].[C:35]1(=[O:36])[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[CH2:43][CH2:44]1.[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH3:45][P:46]([O:47][C:48]([O:49][C:50]([CH2:51][CH3:52])([CH2:53][CH3:54])[CH3:55])=[O:56])(=[O:57])[O-:58].[CH3:60][O:61][c:62]1[cH:63][c:64]([CH:65]2[CH2:66][CH2:67][NH:68][CH2:69][CH2:70]2)[cH:71][cH:72][c:73]1[O:74][CH3:75].[CH3:82][OH:83].[CH:7]1([CH2:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([c:25]3[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[CH2:23][CH2:24]2)[CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]21.[Cl-:59].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[OH2:81]>>[CH:7]1([CH2:16][CH2:17][N:19]2[CH2:20][CH2:21][CH:22]([c:25]3[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[CH2:23][CH2:24]2)[CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]21

Participants

12

Reactant 11

HCID 312ChlorideHCID 887MethanolHCID 962WaterHCID 67351-IndanoneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 5458284-(3,4-Dimethoxyphenyl)piperidineHCID 189865361-(Indan-1-ylacetyl)-4-(3,4-dimethoxyphenyl)piperidineHCID 86749290Diethylethoxycarbonyl methanephosphonate

Product 1

HCID 189865301-(2-(Indan-1-yl)ethyl)-4-(3,4-dimethoxyphenyl)piperidine

Sources & evidence

ORD record
ord-eed2b75b64264b4aad78be7d995b3578
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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