Acetate → HCID 66707052, compound

HRID 1120855Notes

Reaction equation

HRID 1120855 reaction equation
[C:60]([CH3:61])([CH3:62])([CH3:63])[O:64][C:65](=[O:66])[N:67]1[CH2:68][CH2:69][c:70]2[c:71]([c:74]([S:79][CH2:80][c:81]3[cH:82][n:83][c:84]([Cl:87])[cH:85][cH:86]3)[c:75]([Cl:78])[cH:76][cH:77]2)[CH2:72][CH2:73]1.[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[NH2:53][CH:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[Na+:52].[O-:100][C:101]([CH3:102])=[O:103].[O-:96][C:97]([CH3:98])=[O:99].[Pd+2:95].[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[NH:53]([CH:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1)[c:84]1[n:83][cH:82][c:81]([CH2:80][S:79][c:74]2[c:71]3[c:70]([cH:77][cH:76][c:75]2[Cl:78])[CH2:69][CH2:68][N:67]([C:65]([O:64][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:66])[CH2:73][CH2:72]3)[cH:86][cH:85]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 7965CyclohexylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 86629659HCID 86629659, compound

Product 1

HCID 66707052HCID 66707052, compound

Sources & evidence

ORD record
ord-70df3feabcc34938ab0815a103c2f9f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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