Acetic Acid → HCID 57732617, compound

HRID 213324Notes

Reaction equation

HRID 213324 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[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]([CH:27]=[O:28])[cH:25][cH:26]4)[cH:19][c:20]23)[CH2:10][CH2:11]1.[CH3:32][CH2:33][CH:34]([CH2:35][CH3:36])[NH2:37].[CH3:52][S:53]([CH3:54])=[O:55].[CH3:56][C:57](=[O:58])[OH:59].[Na+:51]>>[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:37][CH:34]([CH2:33][CH3:32])[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 120193-PentanamineHCID 2724942TriacetoxyborohydrideHCID 57732795HCID 57732795, compound

Product 1

HCID 57732617HCID 57732617, compound

Sources & evidence

ORD record
ord-75c0b037d38b46efb21c98f8e5da1745
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…