Toluene → Chloride

HRID 2158667Notes

Reaction equation

HRID 2158667 reaction equation
[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][CH2:2][CH:3]=[C:4]([CH2:5][CH2:6][CH:7]=[C:8]([CH2:9][CH2:10][CH2:11][CH:12]([CH3:13])[CH3:14])[CH3:15])[CH3:16].[c:17]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH2:2]([CH:3]=[C:4]([CH2:5][CH2:6][CH:7]=[C:8]([CH2:9][CH2:10][CH2:11][CH:12]([CH3:13])[CH3:14])[CH3:15])[CH3:16])[P+:23]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl-:1]

Participants

6

Reactant 4

HCID 1140TolueneHCID 8058HexaneHCID 11776TriphenylphosphineHCID 542136361-Chloro-3,7,11-trimethyl-dodeca-2,6-diene

Product 2

HCID 312ChlorideHCID 86251491Triphenyl(3,7,11-trimethyldodeca-2,6-dienyl)phosphanium

Sources & evidence

ORD record
ord-fab28e2865e241638ea26e89abc2b2b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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