Acetic Acid → HCID 71293642, compound

HRID 2327428Notes

Reaction equation

HRID 2327428 reaction equation
[C:13]([O:14][BH-:15]([O:16][C:17](=[O:18])[CH3:19])[O:20][C:21](=[O:22])[CH3:23])(=[O:24])[CH3:25].[C:1]1([CH:7]=[O:8])=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH3:63][OH:64].[CH3:9][C:10](=[O:11])[OH:12].[Cl:27][c:28]1[c:29]([CH2:38][N:39]2[CH2:40][C:41]([C:45]([NH:46][CH:47]3[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]3)=[O:53])([CH2:54][C:55](=[O:56])[OH:57])[CH:42]([CH3:44])[CH2:43]2)[c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]1.[Na+:26].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:65]>>[C:1]1([CH2:7][N:50]2[CH2:49][CH2:48][CH:47]([NH:46][C:45]([C:41]3([CH2:54][C:55](=[O:56])[OH:57])[CH2:40][N:39]([CH2:38][c:29]4[c:28]([Cl:27])[cH:33][cH:32][cH:31][c:30]4[C:34]([F:35])([F:36])[F:37])[CH2:43][CH:42]3[CH3:44])=[O:53])[CH2:52][CH2:51]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 51845401-Cyclohexene-1-carboxaldehydeHCID 71293753HCID 71293753, compound

Product 1

HCID 71293642HCID 71293642, compound

Sources & evidence

ORD record
ord-ef8f36ee71df4678b3d5dfbef4442cb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…