Acetic Acid → HCID 14118983, compound

HRID 2134074Notes

Reaction equation

HRID 2134074 reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[NH2:1][c:2]1[c:3]([S:8][c:9]2[c:10]([C:11]#[N:12])[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:21].[OH-:20].[OH2:39].[S:34](=[O:35])(=[O:36])([OH:37])[OH:38].[c:22]1([CH3:23])[c:24]([CH3:25])[cH:26][cH:27][cH:28][cH:29]1>>[c:2]12[c:3]([cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[c:10]([cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1)[C:11](=[O:20])[NH:12]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 7237O-XyleneHCID 19969463HCID 19969463, compound

Product 1

HCID 14118983HCID 14118983, compound

Sources & evidence

ORD record
ord-9a8c701a551a432eb4bd77511050e71e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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