Acetic Acid → HCID 66991028, compound

HRID 2128871Notes

Reaction equation

HRID 2128871 reaction equation
[C:7]([O:8][BH-:9]([O:10][C:11](=[O:12])[CH3:13])[O:14][C:15](=[O:16])[CH3:17])(=[O:18])[CH3:19].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][c:29]1[c:30]([C:31](=[O:32])[NH:33][c:34]2[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41][c:42]([Br:44])[cH:43]2)[cH:45][c:46]([CH:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[cH:47][cH:48]1.[CH2:5]=[O:6].[CH3:1][C:2](=[O:3])[OH:4].[Na+:20].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[CH3:1][N:52]1[CH2:51][CH2:50][CH:49]([c:46]2[cH:45][c:30]([C:31](=[O:32])[NH:33][c:34]3[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41][c:42]([Br:44])[cH:43]3)[c:29]([O:28][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:48][cH:47]2)[CH2:54][CH2:53]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 66990568HCID 66990568, compound

Product 1

HCID 66991028HCID 66991028, compound

Sources & evidence

ORD record
ord-f2b67f38ffb04d68a803f5a572669d5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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