Acetic Acid → 2,4-Bis(1-methyl-1-phenylethyl)-6-[2-(2-nitrophenyl)diazenyl]phenol

HRID 667576

Reaction equation

HRID 667576 reaction equation
[CH3:3][C:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)([CH3:11])[c:12]1[c:13]([OH:27])[cH:14][cH:15][c:16]([C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([CH3:25])[CH3:26])[cH:17]1.[CH3:41][OH:42].[CH3:43][C:44](=[O:45])[OH:46].[Cl-:28].[ClH:40].[K+:2].[N+:29](=[O:30])([O-:31])[c:32]1[c:33]([N+:38]#[N:39])[cH:34][cH:35][cH:36][cH:37]1.[OH-:1].[OH2:47]>>[CH3:3][C:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)([CH3:11])[c:12]1[c:13]([OH:27])[c:14]([N:39]=[N:38][c:33]2[c:32]([N+:29](=[O:30])[O-:31])[cH:37][cH:36][cH:35][cH:34]2)[cH:15][c:16]([C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([CH3:25])[CH3:26])[cH:17]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 760132,4-DicumylphenolHCID 1104932-Nitrobenzenediazonium

Product 1

HCID 1168102,4-Bis(1-methyl-1-phenylethyl)-6-[2-(2-nitrophenyl)diazenyl]phenol

Sources & evidence

ORD record
ord-6ac08564ccfb443fa19a97bc41d0082f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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