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

HRID 309543Notes

Reaction equation

HRID 309543 reaction equation
[BH4-:22].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:24][c:25]1[cH:26][cH:27][c:28]([CH:31]=[C:32]([C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[n:39]2[n:40][cH:41][n:42][cH:43]2)[cH:29][cH:30]1.[Cl:45][CH2:46][CH2:47][Cl:48].[ClH:1].[ClH:44].[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+:23]>>[Cl:24][c:25]1[cH:26][cH:27][c:28]([CH:31]=[C:32]([CH:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[OH:38])[n:39]2[n:40][cH:41][n:42][cH:43]2)[cH:29][cH:30]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 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-db5a50f2b70947d6b7341b7c4ccb8fe2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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