1,2-Dichloroethane → 6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one

HRID 2323933Notes

Reaction equation

HRID 2323933 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:2][c:3]1[c:4]([C:19]([F:20])([F:21])[F:22])[cH:5][c:6]2[c:7]([n:8]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[c:9](=[O:11])[nH:10]2)[cH:18]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:44][CH2:45][CH2:46][Cl:47].[ClH:1].[Na+:43].[O:23]1[CH2:24][CH2:25][C:26](=[O:29])[CH2:27][CH2:28]1>>[CH3:2][c:3]1[c:4]([C:19]([F:20])([F:21])[F:22])[cH:5][c:6]2[c:7]([n:8]([CH:12]3[CH2:13][CH2:14][N:15]([CH:26]4[CH2:25][CH2:24][O:23][CH2:28][CH2:27]4)[CH2:16][CH2:17]3)[c:9](=[O:11])[nH:10]2)[cH:18]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8471TriethylamineHCID 121599Tetrahydro-4H-pyran-4-oneHCID 2724942TriacetoxyborohydrideHCID 59850150HCID 59850150, compound

Product 1

HCID 160711346-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-011042b2efff41d7b5ed03dd9809cc37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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