Acetate → HCID 123698625, compound

HRID 669238Notes

Reaction equation

HRID 669238 reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][C:24]1([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH:25]2[CH:26]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH:27]2[C:28](=[CH2:30])[CH2:29]1.[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:51]([O:52][CH2:53][CH2:54][O:55][CH2:56][CH2:57][OH:58])[CH3:59].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:69][CH2:70][OH:71].[CH3:6][N:7]([N:8]=[O:9])[C:10]([NH:11][N+:12]([O-:13])=[O:14])=[NH:15].[K+:5].[N+:1](=[N-:2])=[CH2:3].[OH-:4].[OH2:50].[Pd+2:64]>>[CH2:3]1[C:28]2([CH:27]3[CH:25]([C:24]([NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:29]2)[CH:26]3[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:30]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 3283Diethyl EtherHCID 8146Diethylene Glycol Monoethyl EtherHCID 9550DiazomethaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 72664110HCID 72664110, compoundHCID 135436526N-Methyl-N'-nitro-N-nitrosoguanidine

Product 1

HCID 123698625HCID 123698625, compound

Sources & evidence

ORD record
ord-d7dda9f2270147fbb7c554abf8e78772
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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