Chloride → 2-(Bis(4-(dimethylamino)phenyl)methyl)-5-(dimethylamino)benzoic acid

HRID 1217735Notes

Reaction equation

HRID 1217735 reaction equation
[Al+3:2].[CH3:14][N:15]([c:16]1[cH:17][cH:18][c:19]([CH:22]2[O:23][C:24](=[O:25])[c:26]3[cH:27][c:28]([N:32]([CH3:33])[CH3:34])[cH:29][cH:30][c:31]32)[cH:20][cH:21]1)[CH3:35].[CH3:5][N:6]([CH3:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[Cl-:1].[Cl-:36].[Cl-:38].[Cl-:3].[Cl-:4].[Zn+2:37]>>[CH3:5][N:6]([CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH:22]([c:19]2[cH:18][cH:17][c:16]([N:15]([CH3:14])[CH3:35])[cH:21][cH:20]2)[c:31]2[c:26]([C:24](=[O:23])[OH:25])[cH:27][c:28]([N:32]([CH3:33])[CH3:34])[cH:29][cH:30]2)[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 312Chloride5×HCID 949N,N-DimethylanilineHCID 32051Zinc(2+)HCID 936931(3H)-Isobenzofuranone, 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-HCID 104727Aluminum Cation

Product 1

HCID 1020632-(Bis(4-(dimethylamino)phenyl)methyl)-5-(dimethylamino)benzoic acid

Sources & evidence

ORD record
ord-63bfc393886a49f1ae35620bf45a25b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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