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

HRID 2312114Notes

Reaction equation

HRID 2312114 reaction equation
[BH3:26].[CH:27]1([CH:33]=[C:34]([C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[n:41]2[n:42][cH:43][n:44][cH:45]2)[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[Cl:47][CH2:48][CH2:49][Cl:50].[ClH:46].[NH2:1][CH:2]([CH2:3][CH:4]([CH3:5])[CH3:6])[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[OH:20].[O:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1>>[CH:27]1([CH:33]=[C:34]([CH:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[OH:40])[n:41]2[n:42][cH:43][n:44][cH:45]2)[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6331BoraneHCID 8028TetrahydrofuranHCID 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-d208678aea9a4b35800564e1f4efecc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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