1,2-Dichloroethane → 2-amino-5-[4-(difluoromethoxy)phenyl]-5-{3-[(dimethylamino)-methyl]phenyl}-3-methyl-3,5-dihydro-4H-imidazol-4-one

HRID 191130Notes

Reaction equation

HRID 191130 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].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:27][NH:28][CH3:29].[CH3:51][C:52](=[O:53])[OH:54].[Cl:55][CH2:56][CH2:57][Cl:58].[NH2:1][C:2]1=[N:6][C:5]([c:7]2[cH:8][cH:9][c:10]([O:13][CH:14]([F:15])[F:16])[cH:11][cH:12]2)([c:17]2[cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23][cH:24]2)[C:4](=[O:25])[N:3]1[CH3:26].[Na+:43].[Na+:45].[OH-:44]>>[NH2:1][C:2]1=[N:6][C:5]([c:7]2[cH:8][cH:9][c:10]([O:13][CH:14]([F:15])[F:16])[cH:11][cH:12]2)([c:17]2[cH:18][c:19]([CH2:20][N:28]([CH3:27])[CH3:29])[cH:22][cH:23][cH:24]2)[C:4](=[O:25])[N:3]1[CH3:26]

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 674DimethylamineHCID 923Sodium ion2×HCID 961HydroxideHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 16113437HCID 16113437, compound

Product 1

HCID 251263172-amino-5-[4-(difluoromethoxy)phenyl]-5-{3-[(dimethylamino)-methyl]phenyl}-3-methyl-3,5-dihydro-4H-imidazol-4-one

Sources & evidence

ORD record
ord-70f7a676c37f4479a3432cd90f05db45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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