Bromide ion → HCID 23057945, compound

HRID 1225825Notes

Reaction equation

HRID 1225825 reaction equation
[Br-:28].[CH3:40][CH:41]([OH:42])[CH3:43].[CH:44]([Cl:45])([Cl:46])[Cl:47].[Cu+2:34].[N:29]([O-:30])=[O:31].[N:6]1([c:12]2[cH:13][cH:14][c:15]3[n:16]([n:17]2)[c:18](-[c:21]2[n:22][c:23]([NH2:26])[s:24][cH:25]2)[n:19][n:20]3)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1.[Na+:27].[Na+:32].[O-:35][S:36](=[O:37])(=[O:38])[O-:39].[OH2:33].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[N:6]1([c:12]2[cH:13][cH:14][c:15]3[n:16]([n:17]2)[c:18](-[c:21]2[n:22][c:23]([Br:28])[s:24][cH:25]2)[n:19][n:20]3)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1

Participants

11

Reactant 10

HCID 259Bromide ionHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 3776IsopropanolHCID 6212ChloroformHCID 27099Cupric cationHCID 230579504-[6-(Piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazol-2-amine

Product 1

HCID 23057945HCID 23057945, compound

Sources & evidence

ORD record
ord-31ab493a7a0744d5ab965984f3c97035
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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