Acetic Acid → HCID 58477386, compound

HRID 1200951Notes

Reaction equation

HRID 1200951 reaction equation
[C:29]([OH:30])(=[O:31])[CH3:32].[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:33][NH:34][CH2:35][CH2:36][OH:37].[Cl:52][CH2:53][Cl:54].[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][n:16][n:17]([CH2:19][CH:20]=[O:21])[cH:18]2)[s:13]3)[cH:22][cH:23][c:24]([N+:26](=[O:27])[O-:28])[cH:25]1.[Na+:51].[Na+:59].[O-:55][C:56]([OH:57])=[O:58]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][n:16][n:17]([CH2:19][CH2:20][N:34]([CH3:33])[CH2:35][CH2:36][OH:37])[cH:18]2)[s:13]3)[cH:22][cH:23][c:24]([N+:26](=[O:27])[O-:28])[cH:25]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 80162-(Methylamino)ethanolHCID 2724942TriacetoxyborohydrideHCID 58474435HCID 58474435, compound

Product 1

HCID 58477386HCID 58477386, compound

Sources & evidence

ORD record
ord-04a30a4570864f609eaee2cc34011798
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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