Acetic Acid → HCID 18348463, compound

HRID 209074Notes

Reaction equation

HRID 209074 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:45][C:46](=[O:47])[OH:48].[NH2:15][CH2:16][c:17]1[n:18][c:19]([NH:36][CH2:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:20]2[n:21][cH:22][n:23]([CH:26]3[O:27][CH:28]([CH2:33][O:34][CH3:35])[CH:29]([OH:32])[CH:30]3[OH:31])[c:24]2[n:25]1.[Na+:14].[O:49]=[C:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1>>[NH:15]([CH2:16][c:17]1[n:18][c:19]([NH:36][CH2:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:20]2[n:21][cH:22][n:23]([CH:26]3[O:27][CH:28]([CH2:33][O:34][CH3:35])[CH:29]([OH:32])[CH:30]3[OH:31])[c:24]2[n:25]1)[CH:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 7967CyclohexanoneHCID 2724942TriacetoxyborohydrideHCID 18348372HCID 18348372, compound

Product 1

HCID 18348463HCID 18348463, compound

Sources & evidence

ORD record
ord-2290eee77f5d418486173d35384cf244
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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