Toluene → Bromide ion

HRID 288127Notes

Reaction equation

HRID 288127 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:18])[c:6]([CH2:15][CH2:16][CH3:17])[c:7]([O:8][CH2:9][CH2:10][CH2:11][Br:12])[cH:13][cH:14]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:19]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[Br-:12].[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:18])[c:6]([CH2:15][CH2:16][CH3:17])[c:7]([O:8][CH2:9][CH2:10][CH2:11][P+:25]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:13][cH:14]1

Participants

5

Reactant 3

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 27752211-[4-(3-bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone

Product 2

HCID 259Bromide ionHCID 198770213-(4-Acetyl-3-hydroxy-2-propylphenoxy)propyl-triphenylphosphanium

Sources & evidence

ORD record
ord-e93e461a2d4641c4958f66fbd2b34d11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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