Dimethyl Sulfoxide → HCID 178457677, compound

HRID 101541Notes

Reaction equation

HRID 101541 reaction equation
[CH3:32][CH:33]([CH3:34])[NH2:35].[CH3:69][S:70]([CH3:71])=[O:72].[CH3:73][OH:74].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[cH:1]1[n:2][cH:3][c:4](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[nH:17][n:18][c:19]3-[c:20]2[n:21][c:22]3[c:23]([nH:24]2)[cH:25][cH:26][cH:27][c:28]3[C:29](=[O:30])[OH:31])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[cH:1]1[n:2][cH:3][c:4](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[nH:17][n:18][c:19]3-[c:20]2[n:21][c:22]3[c:23]([nH:24]2)[cH:25][cH:26][cH:27][c:28]3[C:29](=[O:31])[NH:35][CH:33]([CH3:32])[CH3:34])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 887MethanolHCID 6363IsopropylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178524258HCID 178524258, compound

Product 1

HCID 178457677HCID 178457677, compound

Sources & evidence

ORD record
ord-8e758d4de0cc4a72b3f8b18164f6b09a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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