Acetate → 1-[6-(3,5-Dimethylpiperazin-1-yl)-5-methoxy-2,3-dihydroindol-1-yl]ethanone

HRID 140707

Reaction equation

HRID 140707 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[C:53]([CH3:54])(=[O:55])[N:56]1[CH2:57][CH2:58][c:59]2[cH:60][c:61]([O:66][CH3:67])[c:62]([Br:65])[cH:63][c:64]21.[CH3:68][CH:69]1[NH:70][CH:71]([CH3:75])[CH2:72][NH:73][CH2:74]1.[Cs+:51].[Cs+:52].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[Pd+2:76].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[C:53]([CH3:54])(=[O:55])[N:56]1[CH2:57][CH2:58][c:59]2[cH:60][c:61]([O:66][CH3:67])[c:62]([N:73]3[CH2:72][CH:71]([CH3:75])[NH:70][CH:69]([CH3:68])[CH2:74]3)[cH:63][c:64]21

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 660562,6-DimethylpiperazineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 219483751-Acetyl-6-bromo-5-methoxyindoline

Product 1

HCID 219483741-[6-(3,5-Dimethylpiperazin-1-yl)-5-methoxy-2,3-dihydroindol-1-yl]ethanone

Sources & evidence

ORD record
ord-414df5b53ddf4d57bd6eef3800bc2509
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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