Acetate → HCID 58204175, compound

HRID 176850Notes

Reaction equation

HRID 176850 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:41]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[cH:20][c:21]([C:22](=[O:23])[N:24]3[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]3)[cH:37][cH:38][c:39]2[Cl:40])[cH:14]1.[C:45]([O-:46])([O-:47])=[O:48].[CH3:42][NH2:43].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[ClH:44].[Na+:49].[Na+:50].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[Pd+2:58]>>[c:2]1([C:45]([NH:43][CH3:42])=[O:48])[cH:3][cH:4][c:5]2[c:6]([cH:41]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[cH:20][c:21]([C:22](=[O:23])[N:24]3[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]3)[cH:37][cH:38][c:39]2[Cl:40])[cH:14]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 1140TolueneHCID 6329MethylamineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 58204000HCID 58204000, compound

Product 1

HCID 58204175HCID 58204175, compound

Sources & evidence

ORD record
ord-87710871887a40fabbdccc9cd721625d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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