Acetic Acid → HCID 178509778, compound

HRID 1553612Notes

Reaction equation

HRID 1553612 reaction equation
[BH4-:52].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH:10]([C:11](=[O:12])[OH:13])[NH:14][C:15]([CH2:16][NH:17][C:18]([CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([CH:27]3[N:28]([c:43]4[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]4)[C:29](=[O:42])[CH:30]3[S:31][CH2:32][C:33](=[O:34])[c:35]3[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]3)[cH:25][cH:26]2)=[O:50])=[O:51])[cH:7][cH:8]1.[CH3:54][C:55](=[O:56])[OH:57].[CH3:58][OH:59].[Na+:53]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH:10]([C:11](=[O:12])[OH:13])[NH:14][C:15]([CH2:16][NH:17][C:18]([CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([CH:27]3[N:28]([c:43]4[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]4)[C:29](=[O:42])[CH:30]3[S:31][CH2:32][CH:33]([OH:34])[c:35]3[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]3)[cH:25][cH:26]2)=[O:50])=[O:51])[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 28123BorohydrideHCID 178509777HCID 178509777, compound

Product 1

HCID 178509778HCID 178509778, compound

Sources & evidence

ORD record
ord-b69bcc0702384b91afc773be9e02043b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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