Acetic Acid → HCID 22621249, compound

HRID 2136290Notes

Reaction equation

HRID 2136290 reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl-:29].[ClH:35].[I-:28].[N:19]([O-:20])=[O:21].[NH2:1][c:2]1[c:3]([N+:16](=[O:17])[O-:18])[cH:4][cH:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([Br:15])[cH:13][cH:14]2)[cH:7]1.[NH2:23][S:24](=[O:25])(=[O:26])[OH:27].[Na+:22].[OH2:34]>>[c:2]1([Cl:29])[c:3]([N+:16](=[O:17])[O-:18])[cH:4][cH:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([Br:15])[cH:13][cH:14]2)[cH:7]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1140TolueneHCID 5987Sulfamic AcidHCID 30165Iodide IonHCID 22621246HCID 22621246, compound

Product 1

HCID 22621249HCID 22621249, compound

Sources & evidence

ORD record
ord-e5c48074074e461c8f13a77b055d505f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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