Water → HCID 58902364, compound

HRID 99760Notes

Reaction equation

HRID 99760 reaction equation
[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[NH2:59][c:60]1[cH:61][c:62]([CH2:63][NH:64][C:65]([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])=[O:71])[cH:72][c:73]([C:75]([F:76])([F:77])[F:78])[cH:74]1.[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([O:12][c:13]3[cH:14][cH:15][c:16]4[c:21]([cH:22]3)[CH2:20][CH:19]([C:23](=[O:24])[OH:25])[CH2:18][CH2:17]4)[cH:7][cH:8][n:9][c:10]2[nH:11]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[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>>[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([O:12][c:13]3[cH:14][cH:15][c:16]4[c:21]([cH:22]3)[CH2:20][CH:19]([C:23](=[O:24])[NH:59][c:60]3[cH:61][c:62]([CH2:63][NH:64][C:65]([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])=[O:71])[cH:72][c:73]([C:75]([F:76])([F:77])[F:78])[cH:74]3)[CH2:18][CH2:17]4)[cH:7][cH:8][n:9][c:10]2[nH:11]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58902304HCID 58902304, compoundHCID 59735029tert-butyl N-{[3-amino-5-(trifluoromethyl)phenyl]methyl}carbamate

Product 1

HCID 58902364HCID 58902364, compound

Sources & evidence

ORD record
ord-170c21e7ba164c2eb5039548333a3a83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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