Acetic Acid → HCID 72246318, compound

HRID 2337399Notes

Reaction equation

HRID 2337399 reaction equation
[CH3:47][C:48](=[O:49])[OH:50].[CH3:51][OH:52].[CH:3]1([NH:6][C:7]([c:8]2[cH:9][c:10]([F:45])[c:11]([CH3:44])[c:12](-[c:14]3[cH:15][c:16]4[c:17]([S:31](=[O:32])(=[O:33])[N:34]5[CH2:35][CH:36]6[N:37]([CH2:38][CH2:39]5)[C:40](=[O:43])[O:41][CH2:42]6)[cH:18][n:19]([CH2:25][C:26]([CH2:27][OH:28])([CH3:29])[CH3:30])[c:20](=[O:24])[c:21]4[cH:22][cH:23]3)[cH:13]2)=[O:46])[CH2:4][CH2:5]1.[Na+:2].[OH-:1]>>[CH:3]1([NH:6][C:7]([c:8]2[cH:9][c:10]([F:45])[c:11]([CH3:44])[c:12](-[c:14]3[cH:15][c:16]4[c:17]([S:31](=[O:32])(=[O:33])[N:34]5[CH2:35][CH:36]([CH2:42][OH:41])[NH:37][CH2:38][CH2:39]5)[cH:18][n:19]([CH2:25][C:26]([CH2:27][OH:28])([CH3:29])[CH3:30])[c:20](=[O:24])[c:21]4[cH:22][cH:23]3)[cH:13]2)=[O:46])[CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 178429751HCID 178429751, compound

Product 1

HCID 72246318HCID 72246318, compound

Sources & evidence

ORD record
ord-34c39cdd3abc4d89aced121478b6fb43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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