Toluene → Bromide ion

HRID 200516Notes

Reaction equation

HRID 200516 reaction equation
[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[NH2:1][c:2]1[c:3]([CH2:14][Br:15])[c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[c:16]1([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[Br-:15].[NH2:1][c:2]1[c:3]([CH2:14][P+:22]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

6

Reactant 4

HCID 1140TolueneHCID 3283Diethyl EtherHCID 11776TriphenylphosphineHCID 674048644-Amino-3-(bromomethyl)-2-(trifluoromethyl)benzonitrile

Product 2

HCID 259Bromide ionHCID 86620682[6-Amino-3-cyano-2-(trifluoromethyl)phenyl]methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-0cb7c9ab14f14a5f9a085d738e853184
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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