Sodium ion → [1-[1-(4-Chloro-phenyl)-cyclobutylmethyl]-azepan-3-yl]-methanol

HRID 2140594Notes

Reaction equation

HRID 2140594 reaction equation
[CH3:24][O:25][CH2:26][CH2:27][O:28][Al+:29][O:30][CH2:31][CH2:32][O:33][CH3:34].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:12](=[O:13])[N:14]3[CH2:15][CH:16]([CH2:21][OH:22])[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:9][CH2:10][CH2:11]2)[cH:6][cH:7]1.[H-:23].[H-:36].[Na+:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:12][N:14]3[CH2:15][CH:16]([CH2:21][OH:22])[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:9][CH2:10][CH2:11]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 1140TolueneHCID 166653Hydride2×HCID 18764105Bis(2-methoxyethoxy)alumanyliumHCID 21902048[1-(4-Chloro-phenyl)-cyclobutyl]-(3-hydroxymethyl-azepan-1-yl)-methanone

Product 1

HCID 58737566[1-[1-(4-Chloro-phenyl)-cyclobutylmethyl]-azepan-3-yl]-methanol

Sources & evidence

ORD record
ord-2be9028f16324b178b1ccb94489934dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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