Dimethylformamide → N-[2-(benzylthio)-3,3-dimethoxypropyl]-4-methyl-7-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxamide

HRID 684002Notes

Reaction equation

HRID 684002 reaction equation
[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[S:31][CH:32]([CH2:33][NH2:34])[CH:35]([O:36][CH3:37])[O:38][CH3:39].[CH2:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH:45]([CH3:46])[CH3:47])[CH3:48].[CH3:1][c:2]1[c:3]2[cH:4][c:5]([C:21](=[O:22])[OH:23])[nH:6][c:7]2[c:8]([N:11]([S:12](=[O:13])(=[O:14])[c:15]2[s:16][cH:17][cH:18][cH:19]2)[CH3:20])[cH:9][cH:10]1.[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[CH3:1][c:2]1[c:3]2[cH:4][c:5]([C:21](=[O:22])[NH:34][CH2:33][CH:32]([S:31][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH:35]([O:36][CH3:37])[O:38][CH3:39])[nH:6][c:7]2[c:8]([N:11]([S:12](=[O:13])(=[O:14])[c:15]2[s:16][cH:17][cH:18][cH:19]2)[CH3:20])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 574759902-(Benzylthio)-3,3-dimethoxypropan-1-amineHCID 574760074-methyl-7-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxylic acid

Product 1

HCID 59135744N-[2-(benzylthio)-3,3-dimethoxypropyl]-4-methyl-7-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-3060eae76cae4b1ab7243068ebe3fcf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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