Sodium ion → rac-(1R*,2R*,4R*)-2-(2-{[3-(1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-5-thiophen-2-yl-bicyclo[2.2.2]oct-5-en-2-ol

HRID 1151563Notes

Reaction equation

HRID 1151563 reaction equation
[CH3:2][O:3][CH2:4][CH2:5][O:6][AlH2-:7][O:8][CH2:9][CH2:10][O:11][CH3:12].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:1].[nH:13]1[c:14]([CH2:22][CH2:23][CH2:24][N:25]([C:26]([CH2:27][C:28]2([OH:41])[CH:29]3[CH:30]=[C:31]([c:36]4[s:37][cH:38][cH:39][cH:40]4)[CH:32]([CH2:33]2)[CH2:34][CH2:35]3)=[O:42])[CH3:43])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2>>[nH:13]1[c:14]([CH2:22][CH2:23][CH2:24][N:25]([CH2:26][CH2:27][C:28]2([OH:41])[CH:29]3[CH:30]=[C:31]([c:36]4[s:37][cH:38][cH:39][cH:40]4)[CH:32]([CH2:33]2)[CH2:34][CH2:35]3)[CH3:43])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 1140TolueneHCID 16721212Bis(2-methoxyethoxy)alumanuideHCID 68412936rac-(1R*,2R*,4R*)-N-[3-(1H-benzoimidazol-2-yl)-propyl]-2-(2-hydroxy-5-thiophen-2-yl-bicyclo[2.2.2]oct-5-en-2-yl)-N-methyl-acetamide

Product 1

HCID 68415030rac-(1R*,2R*,4R*)-2-(2-{[3-(1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-5-thiophen-2-yl-bicyclo[2.2.2]oct-5-en-2-ol

Sources & evidence

ORD record
ord-d279f9ada4be4255bcb87a64372abdbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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