Acetic Acid → HCID 57732719, compound

HRID 174001Notes

Reaction equation

HRID 174001 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:29](=[O:30])[NH2:31])[cH:17][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH:27]=[O:28])[cH:25][cH:26]4)[cH:19][c:20]23)[CH2:10][CH2:11]1.[CH3:32][CH2:33][NH2:34].[CH3:49][S:50]([CH3:51])=[O:52].[CH3:53][C:54](=[O:55])[OH:56].[Na+:48]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:29](=[O:30])[NH2:31])[cH:17][c:18](-[c:21]4[cH:22][cH:23][c:24]([CH2:27][NH:34][CH2:33][CH3:32])[cH:25][cH:26]4)[cH:19][c:20]23)[CH2:10][CH2:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 6341EthylamineHCID 2724942TriacetoxyborohydrideHCID 57732795HCID 57732795, compound

Product 1

HCID 57732719HCID 57732719, compound

Sources & evidence

ORD record
ord-0a70ca1b6a9746218514e3f93e951240
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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