Dimethyl Sulfoxide → HCID 59376879, compound

HRID 1128610Notes

Reaction equation

HRID 1128610 reaction equation
[CH3:85][S:86]([CH3:87])=[O:88].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22]2)[n:23]1.[NH2:24][c:25]1[cH:26][c:27]([NH:46][c:47]2[c:48]3[c:49]([n:50][cH:51][n:52]2)[n:53][c:54]([CH:57]([CH3:58])[CH3:59])[cH:55][cH:56]3)[c:28]([S:31][c:32]2[cH:33][cH:34][c:35]([NH:38][C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[cH:36][cH:37]2)[cH:29][cH:30]1.[OH2:84].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][C:69]([N:70]([CH3:71])[CH3:72])=[N+:73]([CH3:74])[CH3:75])[c:76]2[n:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[NH:24][c:25]3[cH:26][c:27]([NH:46][c:47]4[c:48]5[c:49]([n:50][cH:51][n:52]4)[n:53][c:54]([CH:57]([CH3:58])[CH3:59])[cH:55][cH:56]5)[c:28]([S:31][c:32]4[cH:33][cH:34][c:35]([NH:38][C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[cH:36][cH:37]4)[cH:29][cH:30]3)[cH:20][cH:21][cH:22]2)[n:23]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59376826HCID 59376826, compoundHCID 59376905HCID 59376905, compound

Product 1

HCID 59376879HCID 59376879, compound

Sources & evidence

ORD record
ord-7f461c0604c14fc48b97e099bdaba002
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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