Dimethylformamide → 1,1-dimethylethyl 3-[({3-[(1-methylethyl)oxy]-5-[(4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)oxy]phenyl}carbonyl)amino]-1H-pyrazole-1-carboxylate

HRID 283408Notes

Reaction equation

HRID 283408 reaction equation
[CH3:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][c:21]([O:23][c:24]2[cH:25][c:26]3[c:27]([cH:35][cH:36]2)[C:28](=[O:34])[N:29]([CH3:33])[CH2:30][CH2:31][O:32]3)[cH:22]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:37][c:38]1[n:39][n:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:41][cH:42]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH3:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][c:16]([C:17](=[O:18])[NH:37][c:38]2[n:39][n:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:41][cH:42]2)[cH:20][c:21]([O:23][c:24]2[cH:25][c:26]3[c:27]([cH:35][cH:36]2)[C:28](=[O:34])[N:29]([CH3:33])[CH2:30][CH2:31][O:32]3)[cH:22]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 51358380tert-Butyl 3-amino-1H-pyrazole-1-carboxylateHCID 576632203-[(1-Methylethyl)oxy]-5-[(4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)oxy]benzoic acid

Product 1

HCID 576631971,1-dimethylethyl 3-[({3-[(1-methylethyl)oxy]-5-[(4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)oxy]phenyl}carbonyl)amino]-1H-pyrazole-1-carboxylate

Sources & evidence

ORD record
ord-c91fe14310194310902e6a462686766e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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