Methanol → HCID 178454927, compound

HRID 158798Notes

Reaction equation

HRID 158798 reaction equation
[CH3:96][OH:97].[CH:82]([N:83]([CH2:84][CH3:85])[CH:86]([CH3:87])[CH3:88])([CH3:89])[CH3:90].[NH2:41][C:42]1([C:49](=[O:50])[NH:51][S:52](=[O:53])(=[O:54])[CH:55]2[CH2:56][CH2:57]2)[CH:43]([CH2:45][CH:46]([F:47])[F:48])[CH2:44]1.[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([S:30][CH2:31][CH2:32][CH2:33][CH3:34])[CH2:8][CH:9]([C:27](=[O:28])[OH:29])[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1.[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[n:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([S:30][CH2:31][CH2:32][CH2:33][CH3:34])[CH2:8][CH:9]([C:27](=[O:28])[NH:41][C:42]3([C:49](=[O:50])[NH:51][S:52](=[O:53])(=[O:54])[CH:55]4[CH2:56][CH2:57]4)[CH:43]([CH2:45][CH:46]([F:47])[F:48])[CH2:44]3)[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 686337151-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamideHCID 178454930HCID 178454930, compound

Product 1

HCID 178454927HCID 178454927, compound

Sources & evidence

ORD record
ord-e51a6672becd406b87dc40972185782e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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