Acetic Acid → HCID 178511046, compound

HRID 1140334Notes

Reaction equation

HRID 1140334 reaction equation
[BH4-:47].[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][OH:54].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([c:24]3[cH:25][cH:26][c:27]([O:28][CH2:29][C:30](=[O:31])[NH:32][CH2:33][C:34](=[O:35])[NH:36][CH:37]([CH2:38][CH2:39][CH2:40][NH2:41])[C:42](=[O:43])[OH:44])[cH:45][cH:46]3)[CH:10]([S:13][CH2:14][C:15](=[O:16])[c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[C:11]2=[O:12])[cH:6][cH:7]1.[Na+:48]>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([c:24]3[cH:25][cH:26][c:27]([O:28][CH2:29][C:30](=[O:31])[NH:32][CH2:33][C:34](=[O:35])[NH:36][CH:37]([CH2:38][CH2:39][CH2:40][NH2:41])[C:42](=[O:43])[OH:44])[cH:45][cH:46]3)[CH:10]([S:13][CH2:14][CH:15]([OH:16])[c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[C:11]2=[O:12])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 28123BorohydrideHCID 178511045HCID 178511045, compound

Product 1

HCID 178511046HCID 178511046, compound

Sources & evidence

ORD record
ord-63a69f4950f24963a9be71b380f45cc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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