1,2-Dichloroethane → 2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzoic acid

HRID 1554737Notes

Reaction equation

HRID 1554737 reaction equation
[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[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.[Cl:53][CH2:54][CH2:55][Cl:56].[ClH:1].[ClH:2].[O:42]=[C:43]1[O:44][C:45](=[O:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]21>>[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]([C:45](=[O:46])[c:47]3[cH:48][cH:49][cH:50][cH:51][c:52]3[C:43](=[O:42])[OH:44])[CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6811Phthalic AnhydrideHCID 8471TriethylamineHCID 587278272-Methyl-1-{8-[2-(4-phenyl-4-piperidinyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}-1H-benzimidazole

Product 1

HCID 545850052-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzoic acid

Sources & evidence

ORD record
ord-83955b4561ba44daa964bb7ae48cc6f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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