Acetate → HCID 86600244, compound

HRID 1151423Notes

Reaction equation

HRID 1151423 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5](=[O:32])[n:6](-[c:13]3[c:14]([O:28][CH2:29][CH2:30][F:31])[cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27]4)[cH:17][cH:18]3)[c:7]([CH3:12])[n:8][c:9]2[cH:10][cH:11]1.[C:40]=[O:41].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:48][CH2:49][OH:50].[Fe+2:96].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[Pd+2:51].[cH:60]1[cH:61][cH:62][c:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c-:71]2[cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77]1.[cH:78]1[cH:79][cH:80][c:81]([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c-:89]2[cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95]1>>[c:2]1([C:45]([O:44][CH2:43][CH3:42])=[O:47])[cH:3][c:4]2[c:5](=[O:32])[n:6](-[c:13]3[c:14]([O:28][CH2:29][CH2:30][F:31])[cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27]4)[cH:17][cH:18]3)[c:7]([CH3:12])[n:8][c:9]2[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 702EthanolHCID 712FormaldehydeHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27284Ferrous cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 23151247HCID 23151247, compoundHCID 178420532HCID 178420532, compound2×

Product 1

HCID 86600244HCID 86600244, compound

Sources & evidence

ORD record
ord-2ddb562e74c74b43856027de73bfdfe4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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