Dimethyl Sulfoxide → 4-(5-(4-(3-Cyanopropyl)phenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3,4]octan-7-yl)-2-(trifluoromethyl)benzonitrile

HRID 1560382Notes

Reaction equation

HRID 1560382 reaction equation
[C:11](#[N:12])[c:13]1[c:14]([C:41]([F:42])([F:43])[F:44])[cH:15][c:16]([N:19]2[C:20](=[S:40])[N:21]([c:28]3[cH:29][cH:30][c:31]([CH2:34][CH2:35][CH2:36][C:37](=[O:38])[NH2:39])[cH:32][cH:33]3)[C:22]3([CH2:23][CH2:24][CH2:25]3)[C:26]2=[O:27])[cH:17][cH:18]1.[C:45]([c:46]1[cH:47][cH:48][c:49]([N:50]2[C:51](=[O:52])[C:53]3([CH2:54][CH2:55][CH2:56]3)[N:57]([c:58]3[cH:59][cH:60][c:61]([CH2:62][CH2:63][CH2:64][CH2:65][NH-:66])[cH:67][cH:68]3)[C:69]2=[S:70])[cH:71][c:72]1[C:73]([F:74])([F:75])[F:76])#[N:77].[CH3:1][S:2]([CH3:3])=[O:4].[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[Cl:5][C:6]([C:7]([Cl:8])=[O:9])=[O:10].[Cl:85][CH2:86][Cl:87]>>[C:11](#[N:12])[c:13]1[c:14]([C:41]([F:42])([F:43])[F:44])[cH:15][c:16]([N:19]2[C:20](=[S:40])[N:21]([c:28]3[cH:29][cH:30][c:31]([CH2:34][CH2:35][CH2:36][C:37]#[N:39])[cH:32][cH:33]3)[C:22]3([CH2:23][CH2:24][CH2:25]3)[C:26]2=[O:27])[cH:17][cH:18]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 159515234-(4-(7-(4-Cyano-3-(trifluoromethyl)phenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3,4]octan-5-yl)phenyl)butanamideHCID 1544339254-[4-[7-[4-Cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]phenyl]butylazanide

Product 1

HCID 159516274-(5-(4-(3-Cyanopropyl)phenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3,4]octan-7-yl)-2-(trifluoromethyl)benzonitrile

Sources & evidence

ORD record
ord-90f7fcce0dc247418586fbcc403a022c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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