Sodium ion → 1-[1-(4-Chloro-phenyl)-cyclobutylmethyl]-3-(4-trifluoromethyl-phenoxymethyl)-azepane

HRID 202484Notes

Reaction equation

HRID 202484 reaction equation
[CH3:34][O:35][CH2:36][CH2:37][O:38][Al+:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]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][O:22][c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:9][CH2:10][CH2:11]2)[cH:6][cH:7]1.[H-:33].[H-:46].[Na+:45]>>[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][O:22][c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[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 21902106[1-(4-Chloro-phenyl)-cyclobutyl]-[3-(4-trifluoromethylphenoxymethyl)-azepan-1-yl]-methanone

Product 1

HCID 587374781-[1-(4-Chloro-phenyl)-cyclobutylmethyl]-3-(4-trifluoromethyl-phenoxymethyl)-azepane

Sources & evidence

ORD record
ord-b24c91166e794675966ed8c4b0db0eea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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