Water → 2-Amino-5-fluoro-5-(2-methyl-4-nitro-pyrazol-3-yl)cycloheptanol

HRID 675886Notes

Reaction equation

HRID 675886 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[N:1](=[N+:2]=[N-:3])[CH:4]1[CH:5]([OH:21])[CH2:6][CH2:7][C:8]([c:11]2[c:12]([N+:17](=[O:18])[O-:19])[cH:13][n:14][n:15]2[CH3:16])([F:20])[CH2:9][CH2:10]1.[OH2:46].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[NH2:1][CH:4]1[CH:5]([OH:21])[CH2:6][CH2:7][C:8]([c:11]2[c:12]([N+:17](=[O:18])[O-:19])[cH:13][n:14][n:15]2[CH3:16])([F:20])[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 962WaterHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 866800222-azido-5-fluoro-5-(1-methyl-4-nitro-1H-pyrazol-5-yl)cycloheptanol

Product 1

HCID 866800382-Amino-5-fluoro-5-(2-methyl-4-nitro-pyrazol-3-yl)cycloheptanol

Sources & evidence

ORD record
ord-6f0da6c334684faba566212021c58521
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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