Ammonium → 1-[5-(4-Nitro-pyrazol-1-ylmethyl)-isoxazol-3-yl]-ethanol

HRID 1545287Notes

Reaction equation

HRID 1545287 reaction equation
[CH3:19][Al:20]([CH3:21])[CH3:22].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[Cl-:23].[Cl:26][CH2:27][Cl:28].[ClH:25].[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][n:8][n:9]([CH2:11][c:12]2[cH:13][c:14]([CH:17]=[O:18])[n:15][o:16]2)[cH:10]1.[N:1]#[N:2].[NH4+:24]>>[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][n:8][n:9]([CH2:11][c:12]2[cH:13][c:14]([CH:17]([OH:18])[CH3:19])[n:15][o:16]2)[cH:10]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 947NitrogenHCID 6344DichloromethaneHCID 8900HeptaneHCID 16682925TrimethylaluminumHCID 86650887HCID 86650887, compound

Product 1

HCID 669288751-[5-(4-Nitro-pyrazol-1-ylmethyl)-isoxazol-3-yl]-ethanol

Sources & evidence

ORD record
ord-208d3dbdf58a4c308927538da511c95e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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