Ethanol → 7-mesityl-5-methyl-N-phenylbenzo[e][1,2,4]triazin-3-amine

HRID 315018

Reaction equation

HRID 315018 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[n:8][n:9]2)[c:17]([CH3:19])[cH:18]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:20][c:21]1[c:22]([B:29]([OH:30])[OH:31])[c:23]([CH3:28])[cH:24][c:25]([CH3:27])[cH:26]1.[CH3:57][N:58]([CH3:59])[C:60](=[O:61])[CH3:62].[CH3:63][CH2:64][OH:65].[CH:105](=[CH:106][C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)=[O:116])[c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[CH:69](=[CH:70][C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[O:80])[c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:87](=[CH:88][C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)=[O:98])[c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[K+:36].[K+:37].[OH2:66].[Pd:67].[Pd:68].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[c:2]1(-[c:22]2[c:21]([CH3:20])[cH:26][c:25]([CH3:27])[cH:24][c:23]2[CH3:28])[cH:3][c:4]2[c:5]([n:6][c:7]([NH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[n:8][n:9]2)[c:17]([CH3:19])[cH:18]1

Participants

11

Reactant 10

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 31374DimethylacetamideHCID 95417Dibenzylidene acetone3×HCID 2921842,4,6-Trimethylbenzeneboronic acidHCID 18455767(7-Bromo-5-methyl-benzo[1,2,4]triazin-3-yl)-phenyl-amine

Product 1

HCID 184557227-mesityl-5-methyl-N-phenylbenzo[e][1,2,4]triazin-3-amine

Sources & evidence

ORD record
ord-3203efc6440646d4bd8150ca4dfd120a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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