Acetic Acid → HCID 57732845, compound

HRID 103726Notes

Reaction equation

HRID 103726 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[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.[CH2:32]([CH3:33])[NH:34][CH2:35][CH3:36].[CH3:51][S:52]([CH3:53])=[O:54].[CH3:55][C:56](=[O:57])[OH:58].[Na+:50]>>[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][N:34]([CH2:32][CH3:33])[CH2:35][CH3:36])[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 8021DiethylamineHCID 2724942TriacetoxyborohydrideHCID 57732795HCID 57732795, compound

Product 1

HCID 57732845HCID 57732845, compound

Sources & evidence

ORD record
ord-721402714de840df9b6d3ace71a4c912
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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