Dimethyl Sulfoxide → HCID 58203832, compound

HRID 145643Notes

Reaction equation

HRID 145643 reaction equation
[CH3:34][N:35]([CH:36]=[O:37])[CH3:38].[CH3:55][N+:56]([CH3:57])=[C:58]([N:59]([CH3:60])[CH3:61])[O:62][n:63]1[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1.[CH3:72][S:73]([CH3:74])=[O:75].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[NH:1]1[CH2:2][CH:3]([n:5]2[c:6](-[c:10]3[s:11][c:12]4[c:18]([n:19]3)-[c:17]3[c:16]([cH:23][c:22](-[c:24]5[cH:25][n:26][n:27]([CH2:29][C:30]([CH3:31])([OH:32])[CH3:33])[cH:28]5)[cH:21][cH:20]3)[O:15][CH2:14][CH2:13]4)[n:7][cH:8][cH:9]2)[CH2:4]1.[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54]>>[N:1]1([C:36](=[O:37])[CH3:39])[CH2:2][CH:3]([n:5]2[c:6](-[c:10]3[s:11][c:12]4[c:18]([n:19]3)-[c:17]3[c:16]([cH:23][c:22](-[c:24]5[cH:25][n:26][n:27]([CH2:29][C:30]([CH3:31])([OH:32])[CH3:33])[cH:28]5)[cH:21][cH:20]3)[O:15][CH2:14][CH2:13]4)[n:7][cH:8][cH:9]2)[CH2:4]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58203765HCID 58203765, compound

Product 1

HCID 58203832HCID 58203832, compound

Sources & evidence

ORD record
ord-260b77b6abb84f838a8d23e4950a4ea1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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