Cyanide → 2-{3-[2-(3-Cyanophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic Acid

HRID 2137458

Reaction equation

HRID 2137458 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[o:9][c:10]([CH3:33])[c:11]([CH2:13][O:14][CH:15]3[CH2:16][CH:17]([O:21][CH2:22][c:23]4[c:24]([C:25](=[O:26])[OH:27])[c:28]([CH3:32])[cH:29][cH:30][cH:31]4)[CH2:18][CH2:19][CH2:20]3)[n:12]2)[cH:5][cH:6][cH:7]1.[C-:39]#[N:40].[C-:42]#[N:43].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Zn+2:41]>>[c:2]1([C:34]#[N:35])[cH:3][c:4](-[c:8]2[o:9][c:10]([CH3:33])[c:11]([CH2:13][O:14][CH:15]3[CH2:16][CH:17]([O:21][CH2:22][c:23]4[c:24]([C:25](=[O:26])[OH:27])[c:28]([CH3:32])[cH:29][cH:30][cH:31]4)[CH2:18][CH2:19][CH2:20]3)[n:12]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 5975Cyanide2×HCID 6228DimethylformamideHCID 32051Zinc(2+)HCID 224936532-{3-(2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid

Product 1

HCID 224936902-{3-[2-(3-Cyanophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic Acid

Sources & evidence

ORD record
ord-890e88e768bd48f28cdd84baabc92b42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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