Acetic Acid → HCID 178505037, compound

HRID 214222Notes

Reaction equation

HRID 214222 reaction equation
[BH4-:1].[C:21]([O:22][BH-:23]([O:24][C:25](=[O:26])[CH3:27])[O:28][C:29](=[O:30])[CH3:31])(=[O:32])[CH3:33].[C:56](=[O:57])([OH:58])[O-:59].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:77][C:78](=[O:79])[OH:80].[Cu+2:76].[N:3](=[N+:4]=[N-:5])[CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][c:12]([Cl:20])[c:13]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:14]1.[Na+:2].[Na+:34].[Na+:60].[O:35]=[C:36]1[CH2:37][CH2:38][N:39]([c:42]2[cH:43][cH:44][c:45]([CH2:46][CH:47]3[C:48](=[O:53])[NH:49][C:50](=[O:52])[S:51]3)[cH:54][cH:55]2)[CH2:40][CH2:41]1.[OH2:66].[OH2:67].[OH2:68].[OH2:69].[OH2:70].[S:71]([O-:72])([O-:73])(=[O:74])=[O:75]>>[NH:3]([CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][c:12]([Cl:20])[c:13]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:14]1)[CH:36]1[CH2:37][CH2:38][N:39]([c:42]2[cH:43][cH:44][c:45]([CH2:46][CH:47]3[C:48](=[O:53])[NH:49][C:50](=[O:52])[S:51]3)[cH:54][cH:55]2)[CH2:40][CH2:41]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962Water5×HCID 1117Sulfate IonHCID 6228DimethylformamideHCID 27099Cupric cationHCID 28123BorohydrideHCID 2724942TriacetoxyborohydrideHCID 129659555-[4-(4-Oxo-piperidin-1-yl)-benzyl]-thiazolidine-2,4-dioneHCID 22220232N-[5-(2-azido-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide

Product 1

HCID 178505037HCID 178505037, compound

Sources & evidence

ORD record
ord-8b9a25b3e58e4580bd26095f57dcc808
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…