Acetic Acid → HCID 178521370, compound

HRID 156516Notes

Reaction equation

HRID 156516 reaction equation
[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][OH:54].[CH:1]1([CH:7]([C:8](=[O:9])[OH:10])[NH:11][C:12]([CH2:13][NH:14][C:15]([CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([CH:24]3[N:25]([c:40]4[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]4)[C:26](=[O:39])[CH:27]3[S:28][CH2:29][C:30](=[O:31])[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[cH:22][cH:23]2)=[O:47])=[O:48])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([CH:7]([C:8](=[O:9])[OH:10])[NH:11][C:12]([CH2:13][NH:14][C:15]([CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([CH:24]3[N:25]([c:40]4[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]4)[C:26](=[O:39])[CH:27]3[S:28][CH2:29][CH:30]([OH:31])[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[cH:22][cH:23]2)=[O:47])=[O:48])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 178521369HCID 178521369, compound

Product 1

HCID 178521370HCID 178521370, compound

Sources & evidence

ORD record
ord-82f4144caa9e4a0f8e561f289356d705
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…