Chloride → 2,4-Bis(2,4-dihydroxyphenyl)-6-(2,4-dimethylphenyl)-s-triazine

HRID 688417Notes

Reaction equation

HRID 688417 reaction equation
[Al+3:19].[CH3:52][c:53]1[cH:54][c:55]([CH3:56])[cH:57][cH:58][c:59]1-[c:60]1[n:61][c:62](-[c:63]2[cH:64][cH:65][c:66]([CH3:67])[cH:68][c:69]2[CH3:70])[n:71][c:72](-[c:73]2[cH:74][cH:75][c:76]([CH3:77])[cH:78][c:79]2[CH3:80])[n:81]1.[CH3:89][c:90]1[cH:91][c:92]([CH3:93])[cH:94][cH:95][cH:96]1.[Cl-:18].[Cl-:20].[Cl-:21].[Cl:1][c:2]1[n:3][c:4]([Cl:5])[n:6][c:7]([Cl:8])[n:9]1.[Cl:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[OH:10][c:11]1[cH:12][cH:13][cH:14][c:15]([OH:16])[cH:17]1.[OH:22][c:23]1[c:24](-[c:30]2[n:31][c:32](-[c:44]3[c:45]([CH3:51])[cH:46][c:47]([CH3:50])[cH:48][cH:49]3)[n:33][c:34](-[c:36]3[cH:37][cH:38][c:39]([CH3:40])[cH:41][c:42]3[CH3:43])[n:35]2)[cH:25][cH:26][c:27]([OH:29])[cH:28]1>>[OH:10][c:11]1[c:12](-[c:34]2[n:33][c:32](-[c:44]3[c:45]([CH3:51])[cH:46][c:47]([CH3:50])[cH:48][cH:49]3)[n:31][c:30](-[c:24]3[c:23]([OH:22])[cH:28][c:27]([OH:29])[cH:26][cH:25]3)[n:35]2)[cH:13][cH:14][c:15]([OH:16])[cH:17]1

Participants

9

Reactant 8

HCID 312Chloride3×HCID 5054ResorcinolHCID 7929M-XyleneHCID 7954Cyanuric chlorideHCID 7964ChlorobenzeneHCID 742762-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazineHCID 104727Aluminum CationHCID 224759882,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine

Product 1

HCID 1355454222,4-Bis(2,4-dihydroxyphenyl)-6-(2,4-dimethylphenyl)-s-triazine

Sources & evidence

ORD record
ord-b005c49fb4b04317b4614860052f886c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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