Acetic Acid → HCID 25072550, compound

HRID 695063Notes

Reaction equation

HRID 695063 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:1][C:2]1([CH3:29])[S:3](=[O:27])(=[O:28])[CH2:4][CH2:5][CH:6]([c:8]2[cH:9][nH:10][c:11]3[c:12]([C:24](=[O:25])[NH2:26])[cH:13][c:14](-[c:17]4[cH:18][s:19][c:20]([CH:22]=[O:23])[cH:21]4)[cH:15][c:16]23)[CH2:7]1.[CH3:30][C:31](=[O:32])[OH:33].[CH3:55][S:56](=[O:57])[CH3:58].[NH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[Na+:54]>>[CH3:1][C:2]1([CH3:29])[S:3](=[O:27])(=[O:28])[CH2:4][CH2:5][CH:6]([c:8]2[cH:9][nH:10][c:11]3[c:12]([C:24](=[O:25])[NH2:26])[cH:13][c:14](-[c:17]4[cH:18][s:19][c:20]([CH2:22][N:34]5[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]5)[cH:21]4)[cH:15][c:16]23)[CH2:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 8119AzepaneHCID 2724942TriacetoxyborohydrideHCID 59332756HCID 59332756, compound

Product 1

HCID 25072550HCID 25072550, compound

Sources & evidence

ORD record
ord-1194e1f476544c3683b431557d18adcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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