Acetic Acid → HCID 178456725, compound

HRID 2136078Notes

Reaction equation

HRID 2136078 reaction equation
[C:42]([BH3-:43])#[N:44].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][C:2]([CH3:3])([c:4]1[n:5][c:6]([C:10]([F:11])([F:12])[F:13])[n:7][cH:8][cH:9]1)[NH:14][C:15]1=[CH:19][CH:18]([c:20]2[cH:21][c:22]([O:26][C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25]2)[N:17]([c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[C:16]1=[O:41].[CH3:46][C:47](=[O:48])[OH:49].[Na+:45]>>[CH3:1][C:2]([CH3:3])([c:4]1[n:5][c:6]([C:10]([F:11])([F:12])[F:13])[n:7][cH:8][cH:9]1)[NH:14][CH:15]1[C:16](=[O:41])[N:17]([c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[CH:18]([c:20]2[cH:21][c:22]([O:26][C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25]2)[CH2:19]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 87205158HCID 87205158, compound

Product 1

HCID 178456725HCID 178456725, compound

Sources & evidence

ORD record
ord-bf2619f158ab414fb9a695cc21838824
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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