Methanol → tert-butyl 4-(4-amino-1-methyl-1H-pyrazol-5-yl)-6-methoxy-1,4-diazepane-1-carboxylate

HRID 163305Notes

Reaction equation

HRID 163305 reaction equation
[CH3:20][O:21][CH:22]1[CH2:23][N:24]([c:36]2[c:37]([N+:42]([O-:43])=[O:44])[cH:38][n:39][n:40]2[CH3:41])[CH2:25][CH2:26][N:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:28]1.[CH3:45][OH:46].[N+:1]([c:2]1[cH:3][n:4][nH:5][c:6]1[N:7]1[CH2:8][CH:9]=[C:10]([O:11][Si:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][CH2:17]1)([O-:18])=[O:19]>>[CH3:20][O:21][CH:22]1[CH2:23][N:24]([c:36]2[c:37]([NH2:42])[cH:38][n:39][n:40]2[CH3:41])[CH2:25][CH2:26][N:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:28]1

Participants

4

Reactant 3

HCID 887MethanolHCID 866800961-(4-nitro-1H-pyrazol-5-yl)-4-(trimethylsilyloxy)-1,2,3,6-tetrahydropyridineHCID 86680097tert-butyl 6-methoxy-4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate

Product 1

HCID 86680095tert-butyl 4-(4-amino-1-methyl-1H-pyrazol-5-yl)-6-methoxy-1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-f5f615ab7a754a7d8478f08b05e6d297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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