Acetate → HCID 53749786, compound

HRID 144465Notes

Reaction equation

HRID 144465 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:5]([CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][c:13]([Br:14])[n:15]1)[CH2:16][CH:17]=[O:18])([CH3:19])([CH3:20])[CH3:21].[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27]([CH2:28][CH:29]([c:30]1[cH:31][n:32][cH:33][c:34]([O:36][CH2:37][CH3:38])[cH:35]1)[NH2:39])=[O:40].[C:45]([O-:46])(=[O:47])[CH3:48].[C:50]([BH3-:51])#[N:52].[C:55](=[O:56])([O-:57])[O-:58].[CH3:41][C:42](=[O:43])[OH:44].[CH3:61][CH:62]([OH:63])[CH3:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[ClH:54].[K+:59].[K+:60].[Na+:49].[Na+:53]>>[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27]([CH2:28][CH2:29][c:30]1[cH:31][n:32][cH:33][c:34]([O:36][CH2:37][CH3:38])[cH:35]1)=[O:40]

Participants

12

Reactant 11

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 498716Cyano-borohydrideHCID 20674687HCID 20674687, compoundHCID 54504767HCID 54504767, compound

Product 1

HCID 53749786HCID 53749786, compound

Sources & evidence

ORD record
ord-3e7db73943284ee59a70329bbb1f5437
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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