Bromide ion → 1-(Chloromethyl)adamantane

HRID 89275

Reaction equation

HRID 89275 reaction equation
[Br-:27].[Br-:29].[BrH:25].[C:13]12([CH2:14][Br:15])[CH2:16][CH:17]3[CH2:18][CH:19]([CH2:20][CH:21]([CH2:22]3)[CH2:23]1)[CH2:24]2.[C:1]12([CH2:11][OH:12])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[Cl-:30].[Cl-:32].[ClH:26].[Zn+2:28].[Zn+2:31]>>[C:1]12([CH2:11][Cl:26])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

8

Reactant 7

HCID 259Bromide ion2×HCID 260Hydrogen BromideHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 32051Zinc(2+)2×HCID 64556Tricyclo(3.3.1.1'3,7)dec-1-ylmethanolHCID 14163041-(Bromomethyl)adamantane

Product 1

HCID 21039691-(Chloromethyl)adamantane

Sources & evidence

ORD record
ord-fe66afc06baa40ed83c9766a6b4ce3c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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