Acetic Acid → HCID 59714986, compound

HRID 186257Notes

Reaction equation

HRID 186257 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9](=[O:10])[c:11]2[o:12][cH:13][cH:14][cH:15]2)[CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][C:24]3([CH2:30][C:31](=[O:32])[NH:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[CH2:20][CH2:21]2)[n:6][cH:7]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][OH:47].[Na+:41].[OH-:40]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9](=[O:10])[c:11]2[o:12][cH:13][cH:14][cH:15]2)[CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][C:24]3([CH2:30][C:31](=[O:32])[NH:33][CH2:34][C:35](=[O:36])[OH:37])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[CH2:20][CH2:21]2)[n:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 59714896HCID 59714896, compound

Product 1

HCID 59714986HCID 59714986, compound

Sources & evidence

ORD record
ord-d17460c5e58b49fb9f2018bd50d76d1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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