Trifluoroacetic acid → (RS) 4-[3-[2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl]propoxy]-2-[(4-chlorophenoxy)methyl]-1-[3-(piperidin-4-yl)propyl]benzimidazole

HRID 99375Notes

Reaction equation

HRID 99375 reaction equation
[N:1]1([CH2:7][CH2:8][CH:9]2[N:10]([CH2:15][CH2:16][CH2:17][O:18][c:19]3[cH:20][cH:21][cH:22][c:23]4[n:24]([CH2:37][CH2:38][CH2:39][CH:40]5[CH2:41][CH2:42][N:43]([C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:44][CH2:45]5)[c:25]([CH2:28][O:29][c:30]5[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]5)[n:26][c:27]34)[CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH:53][C:54]([C:55]([F:56])([F:57])[F:58])=[O:59]>>[N:1]1([CH2:7][CH2:8][CH:9]2[N:10]([CH2:15][CH2:16][CH2:17][O:18][c:19]3[cH:20][cH:21][cH:22][c:23]4[n:24]([CH2:37][CH2:38][CH2:39][CH:40]5[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]5)[c:25]([CH2:28][O:29][c:30]5[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]5)[n:26][c:27]34)[CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 21188663(RS) 4-[3-[2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl]propoxy]-2-[(4-chlorophenoxy)methyl]-1-[3-[1-(t-butoxycarbonyl)piperidin-4-yl]propyl]benzimidazole

Product 1

HCID 21188834(RS) 4-[3-[2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl]propoxy]-2-[(4-chlorophenoxy)methyl]-1-[3-(piperidin-4-yl)propyl]benzimidazole

Sources & evidence

ORD record
ord-b725e58d09ba475cba322f7e0680d066
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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