Acetate → HCID 66966598, compound

HRID 1553821Notes

Reaction equation

HRID 1553821 reaction equation
[Br:29][c:30]1[cH:31][c:32]2[c:33]([n:49][cH:50]1)[NH:34][C:35](=[O:48])[CH2:36][N:37]([CH2:39][c:40]1[cH:41][cH:42][c:43]([O:46][CH3:47])[cH:44][cH:45]1)[CH2:38]2.[C:51](#[N:52])[CH2:53][CH3:54].[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH2:6][N:7]([C:8]([CH:9]=[CH2:10])=[O:11])[CH3:12])[cH:13][cH:14][cH:15][c:16]1[CH:17]([CH3:18])[CH3:19].[CH:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH2:25][CH3:26])([CH3:27])[CH3:28].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[Pd+2:61]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH2:6][N:7]([C:8]([CH:9]=[CH:10][c:30]2[cH:31][c:32]3[c:33]([n:49][cH:50]2)[NH:34][C:35](=[O:48])[CH2:36][N:37]([CH2:39][c:40]2[cH:41][cH:42][c:43]([O:46][CH3:47])[cH:44][cH:45]2)[CH2:38]3)=[O:11])[CH3:12])[cH:13][cH:14][cH:15][c:16]1[CH:17]([CH3:18])[CH3:19]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7854PropionitrileHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59277600HCID 59277600, compoundHCID 594569197-Bromo-4-(4-methoxybenzyl)-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one

Product 1

HCID 66966598HCID 66966598, compound

Sources & evidence

ORD record
ord-7c046dbed7c4474690d7ba3b9672ebc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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