Acetate → HCID 44482191, compound

HRID 698757Notes

Reaction equation

HRID 698757 reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:35][S:6](=[O:7])(=[O:8])[c:9]1[n:10][cH:11][cH:12][c:13]([CH:15]([CH2:16][CH2:17][CH3:18])[NH:19][C:20](=[O:21])[c:22]2[cH:23][n:24][n:25](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:26]2[CH3:27])[cH:14]1.[CH3:36][O-:37].[CH3:47][C:48](=[O:49])[O-:50].[CH3:51][S:52]([CH3:53])=[O:54].[CH3:55][OH:56].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[NH2:40][O:41][S:42]([OH:43])(=[O:44])=[O:45].[Na+:38].[Na+:46].[Na:39].[OH2:57]>>[S:6](=[O:7])(=[O:8])([c:9]1[n:10][cH:11][cH:12][c:13]([CH:15]([CH2:16][CH2:17][CH3:18])[NH:19][C:20](=[O:21])[c:22]2[cH:23][n:24][n:25](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:26]2[CH3:27])[cH:14]1)[NH2:40]

Participants

11

Reactant 10

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 76284hydroxylamine-O-sulfonic acidHCID 3826051MethoxideHCID 5360545SodiumHCID 44481644HCID 44481644, compound

Product 1

HCID 44482191HCID 44482191, compound

Sources & evidence

ORD record
ord-e6748d9abf8c48669112933f2969413a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…