4-Oxocyclohexane-1-carbonitrile → HCID 54755925, compound

HRID 2131321Notes

Reaction equation

HRID 2131321 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:21][CH2:22][C:23]([NH:24][CH:25]2[CH2:26][NH:27][CH2:28]2)=[O:29])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][c:16]12.[C:30](#[N:31])[CH:32]1[CH2:33][CH2:34][C:35](=[O:38])[CH2:36][CH2:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:21][CH2:22][C:23]([NH:24][CH:25]2[CH2:26][N:27]([CH:35]3[CH2:34][CH2:33][CH:32]([C:30]#[N:31])[CH2:37][CH2:36]3)[CH2:28]2)=[O:29])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][c:16]12

Participants

3

Reactant 2

HCID 122356394-Oxocyclohexane-1-carbonitrileHCID 585488653-[[2-(azetidin-3-ylamino)-2-oxoethyl]amino]-N-tert-butyl-5-(trifluoromethyl)indazole-1-carboxamide

Product 1

HCID 54755925HCID 54755925, compound

Sources & evidence

ORD record
ord-46a2ec18daac45e193446bb83990df02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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