Acetic Acid → HCID 69311128, compound

HRID 137879Notes

Reaction equation

HRID 137879 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].[N:1]1([NH:7][C:8]([CH2:9][c:10]2[c:11]([CH3:30])[n:12]([C:21]([c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)=[O:29])[c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][c:18]23)=[O:31])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:56].[O:32]=[C:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[N:1]1([NH:7][C:8]([CH2:9][c:10]2[c:11]([CH3:30])[n:12]([C:21]([c:22]3[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)=[O:29])[c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][c:18]23)=[O:31])[CH2:2][CH2:3][N:4]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 7967CyclohexanoneHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 69310772HCID 69310772, compound

Product 1

HCID 69311128HCID 69311128, compound

Sources & evidence

ORD record
ord-a50dc0227aca4cea86bfc89fa83771db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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