Hydrochloric Acid → (4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)(phenyl)acetic acid

HRID 2318601Notes

Reaction equation

HRID 2318601 reaction equation
[C:43]([CH:44]=[O:45])(=[O:46])[OH:47].[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2.[ClH:1].[ClH:2].[OH2:42].[c:48]1([B:54]([OH:55])[OH:56])[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][N:22]([CH:44]([C:43](=[O:46])[OH:47])[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 760Glyoxylic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 66827Phenylboronic AcidHCID 587278272-Methyl-1-{8-[2-(4-phenyl-4-piperidinyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}-1H-benzimidazole

Product 1

HCID 56674000(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)(phenyl)acetic acid

Sources & evidence

ORD record
ord-ea9959d0b9224156aee0d4be82a76e7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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