Dimethylformamide → HCID 68227418, compound

HRID 1127102Notes

Reaction equation

HRID 1127102 reaction equation
[CH3:36][O:37][c:38]1[c:39](-[c:44]2[n:45][nH:46][c:47]([CH3:52])[c:48]2[C:49](=[O:50])[OH:51])[cH:40][cH:41][cH:42][cH:43]1.[CH:77]([N:78]([CH2:79][CH3:80])[CH:81]([CH3:82])[CH3:83])([CH3:84])[CH3:85].[Cl:1][c:2]1[cH:3][c:4]([N+:26](=[O:27])[O-:28])[c:5]([NH:14][C:15]([c:16]2[cH:17][cH:18][c:19]([N:22]([CH3:23])[CH3:24])[cH:20][cH:21]2)=[O:25])[cH:6][c:7]1[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[F:29][C:30]([F:31])([F:32])[C:33]([OH:34])=[O:35].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[Cl:1][c:2]1[cH:3][c:4]([N+:26](=[O:27])[O-:28])[c:5]([NH:14][C:15]([c:16]2[cH:17][cH:18][c:19]([N:22]([CH3:23])[CH3:24])[cH:20][cH:21]2)=[O:25])[cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([C:49]([c:48]2[c:44](-[c:39]3[c:38]([O:37][CH3:36])[cH:43][cH:42][cH:41][cH:40]3)[n:45][nH:46][c:47]2[CH3:52])=[O:50])[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 54851625HCID 54851625, compoundHCID 66692213HCID 66692213, compound

Product 1

HCID 68227418HCID 68227418, compound

Sources & evidence

ORD record
ord-35dbf3efe0a54d70a77fe5d74fd30481
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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