Sodium ion → 4-Bromotriphenylamine

HRID 1149087Notes

Reaction equation

HRID 1149087 reaction equation
[Br:7][c:8]1[cH:9][cH:10][c:11]([Br:12])[cH:13][cH:14]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[NH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[Na+:6].[O:38]=[C:39]([CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[OH2:28].[Pd:36].[Pd:37]>>[c:8]1([N:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10][c:11]([Br:12])[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 78041,4-DibromobenzeneHCID 11487DiphenylamineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olate

Product 1

HCID 6428384-Bromotriphenylamine

Sources & evidence

ORD record
ord-9118f8981aae483ea2b6e70436faa373
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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