Dimethylformamide → (2,2-dimethyl-4-(methylsulfonyl)piperazin-1-yl)(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methanone

HRID 2339817Notes

Reaction equation

HRID 2339817 reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:11]3[n:12][c:13]([C:18](=[O:19])[OH:20])[n:14]([CH3:17])[c:15]3[n:16]1)[cH:27][cH:28][cH:29][cH:30]2.[CH3:31][S:32](=[O:33])(=[O:34])[N:35]1[CH2:36][C:37]([CH3:41])([CH3:42])[NH:38][CH2:39][CH2:40]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:11]3[n:12][c:13]([C:18](=[O:19])[N:38]4[C:37]([CH3:41])([CH3:42])[CH2:36][N:35]([S:32]([CH3:31])(=[O:33])=[O:34])[CH2:40][CH2:39]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:27][cH:28][cH:29][cH:30]2

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 198151421-Methanesulfonyl-3,3-dimethylpiperazineHCID 596053252-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purine-8-carboxylic acid

Product 1

HCID 59606151(2,2-dimethyl-4-(methylsulfonyl)piperazin-1-yl)(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methanone

Sources & evidence

ORD record
ord-8755b704316c4b1e919b6e9eadce1132
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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