Cyanide → methyl 2-(5-cyano-4-methyl-2,3-dihydro-1H-inden-1-yl)acetate

HRID 1235273Notes

Reaction equation

HRID 1235273 reaction equation
[C-:32]#[N:33].[C-:35]#[N:36].[CH3:1].[CH3:25][N:26]1[CH2:27][CH2:28][CH2:29][C:30]1=[O:31].[F:2][C:3]([F:4])([F:5])[S:6]([O:7][c:8]1[c:9]([CH3:22])[c:10]2[c:14]([cH:15][cH:16]1)[CH:13]([CH2:17][C:18](=[O:19])[O:20][CH3:21])[CH2:12][CH2:11]2)(=[O:23])=[O:24].[Fe+2:73].[Zn+2:34].[cH:37]1[cH:38][cH:39][c:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c-:48]2[cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c-:66]2[cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72]1>>[c:8]1([C:25]#[N:26])[c:9]([CH3:22])[c:10]2[c:14]([cH:15][cH:16]1)[CH:13]([CH2:17][C:18](=[O:19])[O:20][CH3:21])[CH2:12][CH2:11]2

Participants

8

Reactant 7

HCID 5975Cyanide2×HCID 13387N-methyl-2-pyrrolidoneHCID 27284Ferrous cationHCID 32051Zinc(2+)HCID 3034819MethylHCID 91112207methyl 2-[4-methyl-5-(trifluoromethylsulfonyloxy)-2,3-dihydro-1H-inden-1-yl]acetateHCID 178420532HCID 178420532, compound2×

Product 1

HCID 91126422methyl 2-(5-cyano-4-methyl-2,3-dihydro-1H-inden-1-yl)acetate

Sources & evidence

ORD record
ord-14c9dc0630904d889edfcc99266e7a7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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