Acetic Acid → HCID 57732819, compound

HRID 186629Notes

Reaction equation

HRID 186629 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])[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][CH:33]([CH3:34])[NH2:35].[CH3:50][S:51]([CH3:52])=[O:53].[CH3:54][C:55](=[O:56])[OH:57].[Na+: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]([CH2:27][NH:35][CH:33]([CH3:32])[CH3:34])[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 6363IsopropylamineHCID 2724942TriacetoxyborohydrideHCID 57732795HCID 57732795, compound

Product 1

HCID 57732819HCID 57732819, compound

Sources & evidence

ORD record
ord-b2c6a2ed5a704016b1151e8bb1c2b728
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…