Ethanol → [7-(2,6-Dimethoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-phenyl-amine

HRID 182860Notes

Reaction equation

HRID 182860 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:33](=[O:34])([O-:35])[O-:36].[CH3:20][O:21][c:22]1[c:23]([B:30]([OH:31])[OH:32])[c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]1.[CH3:58][N:59]([CH3:60])[C:61](=[O:62])[CH3:63].[CH3:64][CH2:65][OH:66].[CH:106](=[CH:107][C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)=[O:117])[c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH:70](=[CH:71][C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)=[O:81])[c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH:88](=[CH:89][C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)=[O:99])[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[K+:37].[K+:38].[OH2:67].[Pd:68].[Pd:69].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[c:2]1(-[c:23]2[c:22]([O:21][CH3:20])[cH:27][cH:26][cH:25][c:24]2[O:28][CH3:29])[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 2734343(2,6-Dimethoxyphenyl)boronic acidHCID 18455767(7-Bromo-5-methyl-benzo[1,2,4]triazin-3-yl)-phenyl-amine

Product 1

HCID 18455755[7-(2,6-Dimethoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-phenyl-amine

Sources & evidence

ORD record
ord-fd14c8c118e0411283d9bb1c74fe06c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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