Bicarbonate Ion → 2-Chloro-4-(2-hydroxy-phenylamino)-2'-methylbenzophenone

HRID 292410Notes

Reaction equation

HRID 292410 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][c:6]1[c:7]([NH:12][c:13]2[cH:14][c:15]([Cl:28])[c:16]([C:17](=[O:18])[c:19]3[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]3)[cH:26][cH:27]2)[cH:8][cH:9][cH:10][cH:11]1.[Cl:41][CH2:42][Cl:43].[F:44][CH2:45][C:46]([F:47])([F:48])[OH:49].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[OH:29][C:30]([C:31]([F:32])([F:33])[F:34])=[O:35]>>[OH:5][c:6]1[c:7]([NH:12][c:13]2[cH:14][c:15]([Cl:28])[c:16]([C:17](=[O:18])[c:19]3[c:20]([CH3:25])[cH:21][cH:22][cH:23][cH:24]3)[cH:26][cH:27]2)[cH:8][cH:9][cH:10][cH:11]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 185647Ethanol, trifluoro-HCID 101352224-(2-Tert-butoxy-phenylamino)-2-chloro-2'-methylbenzophenone

Product 1

HCID 99457732-Chloro-4-(2-hydroxy-phenylamino)-2'-methylbenzophenone

Sources & evidence

ORD record
ord-b1c96156f9484dcfa7f0b4df30654397
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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