Acetate → HCID 59822286, compound

HRID 308225Notes

Reaction equation

HRID 308225 reaction equation
[C:63]=[O:64].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:81][CH2:82][OH:83].[CH3:84][S:85]([CH3:86])=[O:87].[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[O-:72][C:73]([CH3:74])=[O:75].[O-:76][C:77]([CH3:78])=[O:79].[OH2:80].[Pd+2:71].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH2:42][CH2:43][CH2:44][P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[Cl:1][c:2]1[c:3]([C:68]([O:67][CH2:66][CH3:65])=[O:69])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 679Dimethyl SulfoxideHCID 702EthanolHCID 712FormaldehydeHCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 812191,3-Bis(diphenylphosphino)propaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 59822286HCID 59822286, compound

Sources & evidence

ORD record
ord-6a13ddc0463d4d91a1194a23395fd6b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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