Acetic Acid → HCID 178493068, compound

HRID 1214256Notes

Reaction equation

HRID 1214256 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:39][C:40](=[O:41])[OH:42].[ClH:1].[ClH:2].[ClH:3].[F:30][c:31]1[cH:32][cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38]1.[NH2:4][CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[n:11][c:12]([NH:15][c:16]2[cH:17][c:18]([O:28][CH3:29])[c:19](-[n:22]3[cH:23][n:24][c:25]([CH3:27])[cH:26]3)[cH:20][cH:21]2)[s:13][cH:14]1.[Na+:56].[Na+:58].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH-:57]>>[NH:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[n:11][c:12]([NH:15][c:16]2[cH:17][c:18]([O:28][CH3:29])[c:19](-[n:22]3[cH:23][n:24][c:25]([CH3:27])[cH:26]3)[cH:20][cH:21]2)[s:13][cH:14]1)[CH2:35][c:34]1[cH:33][cH:32][c:31]([F:30])[cH:38][cH:37]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric Acid3×HCID 923Sodium ion2×HCID 961HydroxideHCID 8028TetrahydrofuranHCID 680234-FluorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 90739228HCID 90739228, compound

Product 1

HCID 178493068HCID 178493068, compound

Sources & evidence

ORD record
ord-9afd33308d594b76af41d0ec1ebab4f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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