1,2-Dichloroethane → (+/-)-1,3-dihydro-1-(1-{1-[1-(2-pyrazinyl)-1-ethyl]piperidin-4-yl}piperidin-4-yl)-2H-benzimidazol-2-one

HRID 1571178Notes

Reaction equation

HRID 1571178 reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[C:46](=[O:47])([O-:48])[O-:49].[CH3:55][C:56](=[O:57])[OH:58].[Cl:52][CH2:53][Cl:54].[Cl:59][CH2:60][CH2:61][Cl:62].[Na+:45].[Na+:50].[Na+:51].[O:16]=[c:17]1[nH:18][c:19]2[c:20]([n:21]1[CH:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1)[cH:28][cH:29][cH:30][cH:31]2.[n:1]1[c:2]([CH:7]([CH3:8])[N:9]2[CH2:10][CH2:11][C:12](=[O:15])[CH2:13][CH2:14]2)[cH:3][n:4][cH:5][cH:6]1>>[n:1]1[c:2]([CH:7]([CH3:8])[N:9]2[CH2:10][CH2:11][CH:12]([N:25]3[CH2:24][CH2:23][CH:22]([n:21]4[c:17](=[O:16])[nH:18][c:19]5[c:20]4[cH:28][cH:29][cH:30][cH:31]5)[CH2:27][CH2:26]3)[CH2:13][CH2:14]2)[cH:3][n:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ion3×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 886381,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 2724942TriacetoxyborohydrideHCID 214716861-(1-(2-Pyrazinyl)-ethyl)-4-oxopiperidine

Product 1

HCID 21471585(+/-)-1,3-dihydro-1-(1-{1-[1-(2-pyrazinyl)-1-ethyl]piperidin-4-yl}piperidin-4-yl)-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-57d2b663529f498c82e5186c2b767e92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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