1,2-Dichloroethane → 1-Cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-en-3-ol

HRID 188102Notes

Reaction equation

HRID 188102 reaction equation
[BH4-:22].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:24]1([CH:30]=[C:31]([C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[n:38]2[n:39][cH:40][n:41][cH:42]2)[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[Cl:44][CH2:45][CH2:46][Cl:47].[ClH:1].[ClH:43].[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]>>[CH:24]1([CH:30]=[C:31]([CH:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[OH:37])[n:38]2[n:39][cH:40][n:41][cH:42]2)[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]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 566097071-Cyclohexyl-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one

Product 1

HCID 1148141-Cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-en-3-ol

Sources & evidence

ORD record
ord-c1ef9533b71b4d90a8ae0f9a52f595d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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