Dimethylformamide → N-(2-hydroxy-2-methylpropyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-9-carboxamide

HRID 701335Notes

Reaction equation

HRID 701335 reaction equation
[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][c:11]2[n:17]([n:18]1)-[c:16]1[c:15]([cH:22][cH:21][c:20]([C:23](=[O:24])[OH:25])[cH:19]1)[O:14][CH2:13][CH2:12]2.[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[NH2:69][CH2:70][C:71]([CH3:72])([OH:73])[CH3:74].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH:59][n:60]1[c:61]2[c:62]([cH:63][cH:64][cH:65][cH:66]2)[n:67][n:68]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][c:11]2[n:17]([n:18]1)-[c:16]1[c:15]([cH:22][cH:21][c:20]([C:23](=[O:24])[NH:69][CH2:70][C:71]([CH3:72])([OH:73])[CH3:74])[cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 951022-Propanol, 1-amino-2-methyl-HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 582047582-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,10b-diaza-benzo[e]azulene-9-carboxylic acid

Product 1

HCID 68355376N-(2-hydroxy-2-methylpropyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-9-carboxamide

Sources & evidence

ORD record
ord-2b190c55c85e4b0db66c6399b0fc49b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…