Bromide ion → 5-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-3H-1,2,4-triazole-3-thione

HRID 134006Notes

Reaction equation

HRID 134006 reaction equation
[Br-:31].[Br-:33].[CH2:28]([Cl:29])[Cl:30].[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:22]2=[N:23][C:24](=[S:27])[N:25]=[N:26]2)[cH:8][c:9]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:10]1[O:11][CH2:12][O:13][CH2:14][CH2:15][O:16][CH3:17].[Zn+2:32]>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:22]2=[N:23][C:24](=[S:27])[N:25]=[N:26]2)[cH:8][c:9]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:10]1[OH:11]

Participants

5

Reactant 4

HCID 259Bromide ion2×HCID 6344DichloromethaneHCID 32051Zinc(2+)HCID 189498475-[3,5-bis(1,1-dimethylethyl)-4-[(2-methoxyethoxy)methoxy]phenyl]-3H-1,2,4-triazole-3-thione

Product 1

HCID 1357865375-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-3H-1,2,4-triazole-3-thione

Sources & evidence

ORD record
ord-769125ca8b8b4a719a407f49f11801dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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