Acetic Acid → HCID 178452957, compound

HRID 111351Notes

Reaction equation

HRID 111351 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].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:46][C:47](=[O:48])[OH:49].[NH2:1][c:2]1[cH:3][cH:4][c:5]([F:25])[c:6]([C:8]23[N:9]=[C:10]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[S:11][CH2:12][CH:13]2[CH2:14][CH2:15][O:16]3)[cH:7]1.[Na+:45].[O:26]=[C:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([F:25])[c:6]([C:8]23[N:9]=[C:10]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[S:11][CH2:12][CH:13]2[CH2:14][CH2:15][O:16]3)[cH:7]1)[CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8452CyclopentanoneHCID 2724942TriacetoxyborohydrideHCID 123188868tert-butyl N-[7a-(5-amino-2-fluorophenyl)-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-2-yl]carbamate

Product 1

HCID 178452957HCID 178452957, compound

Sources & evidence

ORD record
ord-8dbb07dbc3de40cd852730029a1cac1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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