Hexamethylenetetramine → Bromide ion

HRID 1151920Notes

Reaction equation

HRID 1151920 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:6][o:7]1.[CH2:14]1[N:15]2[CH2:16][N:17]3[CH2:18][N:19]1[CH2:20][N:21]([CH2:22]2)[CH2:23]3.[CH:24]([Cl:25])([Cl:26])[Cl:27]>>[Br-:1].[CH2:2]([c:3]1[cH:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:6][o:7]1)[N+:15]12[CH2:14][N:19]3[CH2:18][N:17]([CH2:16]1)[CH2:23][N:21]([CH2:20]3)[CH2:22]2

Participants

5

Reactant 3

HCID 4101HexamethylenetetramineHCID 6212ChloroformHCID 27487965-(Bromomethyl)-3-phenylisoxazole

Product 2

HCID 259Bromide ionHCID 203397413-Phenyl-5-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-ylmethyl)-1,2-oxazole

Sources & evidence

ORD record
ord-7755b39c40a241c3b0a478cd0d56bf25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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