Ethanol → 7-(2,6-dimethylphenyl)-5-methyl-N-phenylbenzo[e][1,2,4]triazin-3-amine
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:31](=[O:32])([O-:33])[O-:34].[CH3:20][c:21]1[c:22]([B:28]([OH:29])[OH:30])[c:23]([CH3:27])[cH:24][cH:25][cH:26]1.[CH3:56][N:57]([CH3:58])[C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][OH:64].[CH:104](=[CH:105][C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)=[O:115])[c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[CH:68](=[CH:69][C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)=[O:79])[c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:86](=[CH:87][C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)=[O:97])[c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[K+:35].[K+:36].[OH2:65].[Pd:66].[Pd:67].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[c:2]1(-[c:22]2[c:21]([CH3:20])[cH:26][cH:25][cH:24][c:23]2[CH3:27])[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]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-95be4dbec6b742dfbd0cb1b090dde5bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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