Benzene → Methyl 4-(cyanomethyl)benzoate

HRID 292491

Reaction equation

HRID 292491 reaction equation
[Br-:16].[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12]1.[CH3:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][N+:33]([CH3:34])([CH3:35])[CH3:36].[Na:13][C:14]#[N:15].[OH2:37].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12]1)[C:14]#[N:15]

Participants

7

Reactant 6

HCID 241BenzeneHCID 259Bromide ionHCID 962WaterHCID 2681CetyltrimethylammoniumHCID 256687Methyl 4-(bromomethyl)benzoateHCID 178511850HCID 178511850, compound

Product 1

HCID 848548Methyl 4-(cyanomethyl)benzoate

Sources & evidence

ORD record
ord-8d8c838fb4d443e4b116817ca357bbf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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