Acetic Acid → HCID 57460977, compound

HRID 696184Notes

Reaction equation

HRID 696184 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]([CH2:27][CH2:28][CH3:29])[n:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7](=[O:11])[c:8]1[CH:9]=[O:10].[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH3:50][C:51](=[O:52])[OH:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Na+:49]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]([CH2:27][CH2:28][CH3:29])[n:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7](=[O:11])[c:8]1[CH2:9][N:35]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 57460976HCID 57460976, compound

Product 1

HCID 57460977HCID 57460977, compound

Sources & evidence

ORD record
ord-b03c7a683d7d4371abc88a7864ac948e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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