Acetate → HCID 77217951, compound

HRID 1229779Notes

Reaction equation

HRID 1229779 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[N:17]([CH3:18])[c:19]2[c:20]([Cl:32])[cH:21][cH:22][c:23]([C:25]([NH:26][CH2:27][CH:28]([CH3:29])[OH:30])=[O:31])[cH:24]2)[cH:14]1.[C:37]([O-:38])([O-:39])=[O:40].[CH3:34][NH2:35].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[ClH:36].[Na+:41].[Na+:42].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[Pd+2:55]>>[c:2]1([C:37]([NH:35][CH3:34])=[O:40])[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[N:17]([CH3:18])[c:19]2[c:20]([Cl:32])[cH:21][cH:22][c:23]([C:25]([NH:26][CH2:27][CH:28]([CH3:29])[OH:30])=[O:31])[cH:24]2)[cH:14]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 1140TolueneHCID 6228DimethylformamideHCID 6329MethylamineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178468282HCID 178468282, compound

Product 1

HCID 77217951HCID 77217951, compound

Sources & evidence

ORD record
ord-bb8fc15f022743299cb1f04af237fd01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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