Chloride → 2-(5-Chloro-2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl)-s-triazine

HRID 1135694Notes

Reaction equation

HRID 1135694 reaction equation
[Al+3:31].[Cl-:30].[Cl-:32].[Cl-:33].[Cl:1][c:2]1[n:3][c:4](-[c:16]2[c:17]([CH3:23])[cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[n:5][c:6](-[c:8]2[c:9]([CH3:15])[cH:10][c:11]([CH3:14])[cH:12][cH:13]2)[n:7]1.[Cl:24][CH2:25][C:26]([Cl:27])([Cl:28])[Cl:29].[Cl:34][c:35]1[c:36]([OH:42])[cH:37][c:38]([OH:39])[cH:40][cH:41]1.[ClH:43].[OH2:44]>>[c:2]1(-[c:40]2[c:38]([OH:39])[cH:37][c:36]([OH:42])[c:35]([Cl:34])[cH:41]2)[n:3][c:4](-[c:16]2[c:17]([CH3:23])[cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[n:5][c:6](-[c:8]2[c:9]([CH3:15])[cH:10][c:11]([CH3:14])[cH:12][cH:13]2)[n:7]1

Participants

8

Reactant 7

HCID 312Chloride3×HCID 313Hydrochloric AcidHCID 962WaterHCID 17314-ChlororesorcinolHCID 124181,1,1,2-TetrachloroethaneHCID 710591,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-HCID 104727Aluminum Cation

Product 1

HCID 1358435862-(5-Chloro-2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl)-s-triazine

Sources & evidence

ORD record
ord-11e5d17ca1354ee1b1a4a33c845a11e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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