Acetic Acid → HCID 11553707, compound

HRID 2345386Notes

Reaction equation

HRID 2345386 reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH2:1]([CH3:2])[C:3]1([CH2:13][C:14]([C:15]([F:16])([F:17])[F:18])([OH:19])[CH:20]=[N:21][c:22]2[c:23]3[cH:24][cH:25][n:26][cH:27][c:28]3[cH:29][cH:30][cH:31]2)[CH2:4][CH2:5][CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21.[CH3:52][C:53](=[O:54])[OH:55].[Na+:45].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51]>>[CH2:1]([CH3:2])[C:3]1([CH2:13][C:14]([C:15]([F:16])([F:17])[F:18])([OH:19])[CH2:20][NH:21][c:22]2[c:23]3[cH:24][cH:25][n:26][cH:27][c:28]3[cH:29][cH:30][cH:31]2)[CH2:4][CH2:5][CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 24749156HCID 24749156, compound

Product 1

HCID 11553707HCID 11553707, compound

Sources & evidence

ORD record
ord-9a40289dd72648398d2c85aede49cad8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…