Acetic Acid → 4-[2-(3-Benzyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]benzonitrile

HRID 212493Notes

Reaction equation

HRID 212493 reaction equation
[C:32]([BH3-:33])#[N:34].[CH3:1][C:2]([CH:3]=[O:4])([CH3:5])[NH:6][c:7]1[s:8][cH:9][c:10](-[c:12]2[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]2)[n:11]1.[CH3:20][C:21]([OH:22])=[O:23].[CH3:36][OH:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[NH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Na+:35].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[CH3:1][C:2]1([CH3:5])[CH2:3][N:24]([CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[C:21](=[O:23])[N:6]1[c:7]1[s:8][cH:9][c:10](-[c:12]2[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]2)[n:11]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 7504BenzylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 866186094-{2-[(1,1-Dimethyl-2-oxoethyl)amino]-1,3-thiazol-4-yl}benzonitrile

Product 1

HCID 247832474-[2-(3-Benzyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]benzonitrile

Sources & evidence

ORD record
ord-5500f0ab2d4e4d74a14fb78cc3c197ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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