Dimethylformamide → (E)-N-(8-(1H-indole-4-carbonyl)-8-azaspiro[bicyclo[3.2.1]octan-3,4'-imidazolidine]-2'-ylidene)-3,5-diamino-6-chloropyrazine-2-carboxamide

HRID 2158714Notes

Reaction equation

HRID 2158714 reaction equation
[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[NH2:1][c:2]1[c:3]([C:10](=[O:11])[N:12]=[C:13]2[NH:14][CH2:15][C:16]3([CH2:17][CH:18]4[CH2:19][CH2:20][CH:21]([CH2:22]3)[NH:23]4)[NH:24]2)[n:4][c:5]([Cl:9])[c:6]([NH2:8])[n:7]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[nH:49]1[cH:50][cH:51][c:52]2[c:53]([C:58](=[O:59])[OH:60])[cH:54][cH:55][cH:56][c:57]12>>[NH2:1][c:2]1[c:3]([C:10](=[O:11])[N:12]=[C:13]2[NH:14][CH2:15][C:16]3([CH2:17][CH:18]4[CH2:19][CH2:20][CH:21]([CH2:22]3)[N:23]4[C:58]([c:53]3[c:52]4[cH:51][cH:50][nH:49][c:57]4[cH:56][cH:55][cH:54]3)=[O:59])[NH:24]2)[n:4][c:5]([Cl:9])[c:6]([NH2:8])[n:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 595229Indole-4-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178508757HCID 178508757, compound

Product 1

HCID 178508753(E)-N-(8-(1H-indole-4-carbonyl)-8-azaspiro[bicyclo[3.2.1]octan-3,4'-imidazolidine]-2'-ylidene)-3,5-diamino-6-chloropyrazine-2-carboxamide

Sources & evidence

ORD record
ord-aa52845f43dd4917a416ce8a556b2579
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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