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

HRID 2333558Notes

Reaction equation

HRID 2333558 reaction equation
[BH3:25].[CH:26]1([CH:32]=[C:33]([C:34]([C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[n:40]2[n:41][cH:42][n:43][cH:44]2)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[Cl:46][CH2:47][CH2:48][Cl:49].[ClH:45].[NH2:1][CH:2]([CH:3]([CH3:4])[CH3:5])[C:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[OH:19].[O:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1>>[CH:26]1([CH:32]=[C:33]([CH:34]([C:35]([CH3:36])([CH3:37])[CH3:38])[OH:39])[n:40]2[n:41][cH:42][n:43][cH:44]2)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6331BoraneHCID 8028TetrahydrofuranHCID 38082422-Amino-3-methyl-1,1-diphenylbutan-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-c820181746d141a78bb8b4dd52b5eccc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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