Acetate → N-[6-Dimethylamino-9-(3-fluoro-benzyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-isobutyramide

HRID 318374Notes

Reaction equation

HRID 318374 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]3[c:10]([n:11]([CH2:15][c:16]4[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]4)[c:12]2[cH:13][cH:14]1)[CH2:9][CH2:8][CH:7]([NH:23][C:24]([CH:25]([CH3:26])[CH3:27])=[O:28])[CH2:6]3.[C:45](=[O:46])([O-:47])[O-:48].[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:29][NH:30][CH3:31].[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[K+:49].[K+:50].[Na+:37].[Pd+2:55]>>[c:2]1([N:30]([CH3:29])[CH3:31])[cH:3][c:4]2[c:5]3[c:10]([n:11]([CH2:15][c:16]4[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]4)[c:12]2[cH:13][cH:14]1)[CH2:9][CH2:8][CH:7]([NH:23][C:24]([CH:25]([CH3:26])[CH3:27])=[O:28])[CH2:6]3

Participants

10

Reactant 9

HCID 175Acetate2×HCID 674DimethylamineHCID 813Potassium Cation2×HCID 923Sodium ionHCID 1140TolueneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 57431656N-[9-(3-Fluorobenzyl)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]isobutyramide

Product 1

HCID 59161264N-[6-Dimethylamino-9-(3-fluoro-benzyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-isobutyramide

Sources & evidence

ORD record
ord-dc1ca74ff0804bfb89e704172df2eab5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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