Dimethyl Sulfoxide → 2-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-yl)piperazin-1-yl)acetamide

HRID 2134564Notes

Reaction equation

HRID 2134564 reaction equation
[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:54][N+:55]([CH3:56])=[C:57]([N:58]([CH3:59])[CH3:60])[O:61][n:62]1[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1.[CH3:71][S:72]([CH3:73])=[O:74].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:32]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][n:19][c:20]([N:22]2[CH2:23][CH2:24][N:25]([CH2:28][C:29](=[O:30])[OH:31])[CH2:26][CH2:27]2)[cH:21]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[F:47][P-:48]([F:49])([F:50])([F:51])([F:52])[F:53]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:32]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][n:19][c:20]([N:22]2[CH2:23][CH2:24][N:25]([CH2:28][C:29](=[O:30])[NH2:34])[CH2:26][CH2:27]2)[cH:21]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 582050192-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-yl)piperazin-1-yl)acetic acid

Product 1

HCID 582047312-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-yl)piperazin-1-yl)acetamide

Sources & evidence

ORD record
ord-7cdfceab6d1945feb19786c0c4f136e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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