Acetic Acid → HCID 57750059, compound

HRID 2140848Notes

Reaction equation

HRID 2140848 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:51](=[O:52])([OH:53])[O-:54].[CH2:1]1[N:2]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([C:14](=[O:15])[O:16][CH3:17])[cH:11][c:12]3[c:13]21.[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:47][C:48](=[O:49])[OH:50].[CH3:71][OH:72].[CH:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Cl:63][CH2:64][Cl:65].[F:56][C:57]([F:58])([F:59])[C:60]([OH:61])=[O:62].[Na+:46].[Na+:55]>>[CH2:1]1[N:2]([CH2:18][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([C:14](=[O:15])[O:16][CH3:17])[cH:11][c:12]3[c:13]21

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 57750067HCID 57750067, compound

Product 1

HCID 57750059HCID 57750059, compound

Sources & evidence

ORD record
ord-0d07b438d55842e9a5fecef1927175a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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