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Chloride → 1-{[2,4-bis(methyloxy)phenyl]methyl}-3-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione

HRID 99955
Notes
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Reaction equation

HRID 99955 reaction equation
[CH2:37]([N+:38]([CH2:39][CH3:40])([CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH2:48][CH3:49])[CH3:50].[CH3:1][O:2][c:3]1[c:4]([CH2:11][N:12]2[C:13](=[O:20])[C:14]([Br:19])=[C:15]([CH3:18])[C:16]2=[O:17])[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl-:36].[Cs+:35].[F-:34].[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1)([F:32])[F:33]>>[CH3:1][O:2][c:3]1[c:4]([CH2:11][N:12]2[C:13](=[O:20])[C:14]([c:26]3[cH:25][cH:24][c:23]([C:22]([F:21])([F:32])[F:33])[cH:28][cH:27]3)=[C:15]([CH3:18])[C:16]2=[O:17])[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 312ChlorideHCID 1140TolueneHCID 17208BenzyltriethylammoniumHCID 28179Fluoride IonHCID 104967Cesium cationHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 12013927{[2,4-bis(methyloxy)phenyl]methyl}-3-bromo-4-methyl-1H-pyrrole-2,5-dione

Product 1

HCID 594961041-{[2,4-bis(methyloxy)phenyl]methyl}-3-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione

Sources & evidence

ORD record
ord-093337227c8948feb7c4f9e6d6a0d912
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes