Acetic Acid → HCID 68504410, compound

HRID 2312661Notes

Reaction equation

HRID 2312661 reaction equation
[C:54]([O:55][BH-:56]([O:57][C:58](=[O:59])[CH3:60])[O:61][C:62](=[O:63])[CH3:64])(=[O:65])[CH3:66].[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[C:7](=[O:46])[CH2:8][O:9][c:10]2[c:11]1[cH:12][c:13]([CH2:16][O:17][CH:18]1[CH2:19][N:20]([C:36](=[O:37])[O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:21][CH2:22][CH:23]1[c:24]1[cH:25][cH:26][c:27]([O:30][CH:31]3[CH2:32][NH:33][CH2:34][CH2:35]3)[cH:28][cH:29]1)[cH:14][cH:15]2.[CH3:68][C:69](=[O:70])[OH:71].[Na+:67].[O:47]=[C:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[C:7](=[O:46])[CH2:8][O:9][c:10]2[c:11]1[cH:12][c:13]([CH2:16][O:17][CH:18]1[CH2:19][N:20]([C:36](=[O:37])[O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:21][CH2:22][CH:23]1[c:24]1[cH:25][cH:26][c:27]([O:30][CH:31]3[CH2:32][N:33]([CH:48]4[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]4)[CH2:34][CH2:35]3)[cH:28][cH:29]1)[cH:14][cH:15]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 7967CyclohexanoneHCID 2724942TriacetoxyborohydrideHCID 178495240HCID 178495240, compound

Product 1

HCID 68504410HCID 68504410, compound

Sources & evidence

ORD record
ord-035d5d7c761947f5a5ebe97191d406f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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