Acetic Acid → Acetate

HRID 308284Notes

Reaction equation

HRID 308284 reaction equation
[CH3:1][C:2]([OH:3])=[O:4].[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[Cl:5][c:6]1[cH:7][n:8][c:9]([NH:24][C:25](=[NH:26])[NH2:27])[c:10]2[cH:11][c:12](-[c:16]3[cH:17][c:18]([C:22]#[N:23])[cH:19][cH:20][cH:21]3)[cH:13][cH:14][c:15]12>>[CH3:1][C:2](=[O:3])[O-:4].[Cl:5][c:6]1[cH:7][n:8][c:9]([NH2+:24][C:25](=[NH:26])[NH2:27])[c:10]2[cH:11][c:12](-[c:16]3[cH:17][c:18]([C:22]#[N:23])[cH:19][cH:20][cH:21]3)[cH:13][cH:14][c:15]12

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 80711,2-DimethoxyethaneHCID 13387N-methyl-2-pyrrolidoneHCID 178509681HCID 178509681, compound

Product 2

HCID 175AcetateHCID 178509683HCID 178509683, compound

Sources & evidence

ORD record
ord-56358bb6bfe243b0a7f0eed9d7e1949b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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