Hydrochloric Acid → [trans-4-(4-Nitro-3-trifluoromethyl-phenylamino)-cyclohexyl]-methanol

HRID 691095Notes

Reaction equation

HRID 691095 reaction equation
[Al+3:25].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[ClH:30].[H-:24].[H-:27].[H-:28].[H-:29].[Li+:26].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:20]([F:21])([F:22])[F:23])[cH:6][c:7]([NH:10][CH:11]2[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[OH:19])[CH2:15][CH2:16]2)[cH:8][cH:9]1.[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:20]([F:21])([F:22])[F:23])[cH:6][c:7]([NH:10][CH:11]2[CH2:12][CH2:13][CH:14]([CH2:17][OH:18])[CH2:15][CH2:16]2)[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 58118009trans-4-(4-Nitro-3-trifluoromethyl-phenylamino)-cyclohexanecarboxylic acid

Product 1

HCID 58118223[trans-4-(4-Nitro-3-trifluoromethyl-phenylamino)-cyclohexyl]-methanol

Sources & evidence

ORD record
ord-71bbc2d15067460f9d663702b0fb1662
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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