Cyanide → HCID 15952818, compound

HRID 92019Notes

Reaction equation

[C-:38]#[N:39].[C-:41]#[N:42].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cl:1][c:2]1[n:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10]2([CH2:23][CH:24]3[CH2:25][CH2:26]3)[CH2:11][CH2:12][CH:13]([S:16](=[O:17])(=[O:18])[CH2:19][CH:20]3[CH2:21][CH2:22]3)[CH2:14][CH2:15]2)[cH:27][cH:28]1.[Zn+2:40]>>[c:2]1([C:33]#[N:34])[n:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10]2([CH2:23][CH:24]3[CH2:25][CH2:26]3)[CH2:11][CH2:12][CH:13]([S:16](=[O:17])(=[O:18])[CH2:19][CH:20]3[CH2:21][CH2:22]3)[CH2:14][CH2:15]2)[cH:27][cH:28]1

Participants

Reactant 4

HCID 5975Cyanide2×

HCID 6228Dimethylformamide

HCID 32051Zinc(2+)

HCID 159524216-chloro-N-({1-(cyclopropylmethyl)-4-[(cyclopropylmethyl)sulfonyl]cyclohexyl}methyl)-2-(trifluoromethyl)nicotinamide

Product 1

HCID 15952818HCID 15952818, compound

Sources & evidence

ORD record: ord-8b3d43a534b64800ac9a0f5a338fe643
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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