Acetate → HCID 57656180, compound

HRID 1133981Notes

Reaction equation

HRID 1133981 reaction equation
[C:73](=[O:74])([O-:75])[O-:76].[CH3:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[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.[Cs+:77].[Cs+:78].[NH2:79][CH2:80][CH2:81][NH:82][C:83]([O:84][C:85]([CH3:86])([CH3:87])[CH3:88])=[O:89].[O-:91][C:92]([CH3:93])=[O:94].[O-:95][C:96]([CH3:97])=[O:98].[Pd+2:90].[cH:27]1[cH:28][cH:29][c:30]([P:31]([c:32]2[cH:33][cH:34][c:35]3[c:36]([cH:37][cH:38][cH:39][cH:40]3)[c:41]2-[c:42]2[c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[cH:49][cH:50][c:51]2[P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72]1>>[Cl:1][c:2]1[c:3]([NH:79][CH2:80][CH2:81][NH:82][C:83]([O:84][C:85]([CH3:86])([CH3:87])[CH3:88])=[O:89])[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

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 187201N-BOC-ethylenediamineHCID 634876Binap, (A+-)-HCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 57656180HCID 57656180, compound

Sources & evidence

ORD record
ord-7e4345571e57403e9d0c038eae131b86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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