Acetic Acid → Acetic Acid

HRID 2343669Notes

Reaction equation

HRID 2343669 reaction equation
[Br:5][c:6]1[cH:7][c:8]([C:12]2([c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[N:13]=[C:14]([NH2:21])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]32)[cH:9][cH:10][cH:11]1.[C:1]([CH3:2])(=[O:3])[OH:4].[Cl:30][c:31]1[cH:32][c:33]([B:38]([OH:39])[OH:40])[cH:34][c:35]([Cl:37])[cH:36]1>>[C:1]([CH3:2])(=[O:3])[OH:4].[c:6]1(-[c:33]2[cH:32][c:31]([Cl:30])[cH:36][c:35]([Cl:37])[cH:34]2)[cH:7][c:8]([C:12]2([c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[N:13]=[C:14]([NH2:21])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]32)[cH:9][cH:10][cH:11]1

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 27343313,5-Dichlorophenylboronic acidHCID 248749461-(3-Bromophenyl)-1-(4-methoxyphenyl)-1H-isoindol-3-amine

Product 2

HCID 176Acetic AcidHCID 248746453-[3-(3,5-Dichlorophenyl)phenyl]-3-(4-methoxyphenyl)isoindol-1-amine

Sources & evidence

ORD record
ord-738e5117e9e8484cb50a14bc28e104f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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