Toluene → Chloride

HRID 2162274Notes

Reaction equation

HRID 2162274 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:29][Cl:30])[cH:11][c:12]([O:13][c:14]2[c:15]3[c:19]([c:20]([N+:24](=[O:25])[O-:26])[cH:21][c:22]2[CH3:23])[CH2:18][CH2:17][CH2:16]3)[cH:27][cH:28]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:31]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:29][P+:37]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:11][c:12]([O:13][c:14]2[c:15]3[c:19]([c:20]([N+:24](=[O:25])[O-:26])[cH:21][c:22]2[CH3:23])[CH2:18][CH2:17][CH2:16]3)[cH:27][cH:28]1.[Cl-:30]

Participants

5

Reactant 3

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 230311674-(4-Benzyloxy-3-chloromethylphenoxy)-5-methyl-7-nitroindane

Product 2

HCID 312ChlorideHCID 21110567[5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]-2-phenylmethoxyphenyl]methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-31decbca8d8e4975b5e10f9de2dd8820
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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