Acetic Acid → HCID 44621513, compound

HRID 1116960Notes

Reaction equation

HRID 1116960 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH2:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[CH3:40][C:41](=[O:42])[OH:43].[F:1][c:2]1[c:3]([NH:16][c:17]2[n:18][cH:19][c:20]([C:30]([F:31])([F:32])[F:33])[c:21]([NH:23][c:24]3[n:25][nH:26][c:27]([CH3:29])[cH:28]3)[n:22]2)[cH:4][c:5]([CH3:15])[c:6]([CH:8]2[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2)[cH:7]1.[Na+:57]>>[F:1][c:2]1[c:3]([NH:16][c:17]2[n:18][cH:19][c:20]([C:30]([F:31])([F:32])[F:33])[c:21]([NH:23][c:24]3[n:25][nH:26][c:27]([CH3:29])[cH:28]3)[n:22]2)[cH:4][c:5]([CH3:15])[c:6]([CH:8]2[CH2:9][CH2:10][CH:11]([N:37]3[CH2:36][CH2:35][CH2:34][CH2:39][CH2:38]3)[CH2:12][CH2:13]2)[cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 8082PiperidineHCID 2724942TriacetoxyborohydrideHCID 58257099HCID 58257099, compound

Product 1

HCID 44621513HCID 44621513, compound

Sources & evidence

ORD record
ord-4429b6fabf1f4f4987730d2ffd3781df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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