Acetate → 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazole-1-yl)-pentene-3-ol

HRID 1564927Notes

Reaction equation

HRID 1564927 reaction equation
[BH4-:26].[CH3:22][C:23](=[O:24])[O-:25].[CH3:28][C:29](=[O:30])[OH:31].[Cl:32][c:33]1[cH:34][cH:35][c:36]([CH:39]=[C:40]([C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[n:47]2[n:48][cH:49][n:50][cH:51]2)[cH:37][cH:38]1.[ClH:1].[NH2:2][CH:3]([CH2:4][CH:5]([CH3:6])[CH3:7])[C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[OH:21].[Na+:27]>>[Cl:32][c:33]1[cH:34][cH:35][c:36]([CH:39]=[C:40]([CH:41]([C:42]([CH3:43])([CH3:44])[CH3:45])[OH:46])[n:47]2[n:48][cH:49][n:50][cH:51]2)[cH:37][cH:38]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 28123BorohydrideHCID 33723782-Amino-4-methyl-1,1-diphenylpentan-1-olHCID 540228171-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one

Product 1

HCID 917371-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazole-1-yl)-pentene-3-ol

Sources & evidence

ORD record
ord-66e115560fd742e3bc00c404aaf8685e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…