Dimethylformamide → HCID 68676752, compound

HRID 1117055Notes

Reaction equation

HRID 1117055 reaction equation
[CH2:61]([N:62]([CH:63]([CH3:64])[CH3:65])[CH:66]([CH3:67])[CH3:68])[CH3:69].[O:25]=[C:26]1[NH:27][c:28]2[c:29]([cH:57][cH:58][cH:59][cH:60]2)[CH2:30][CH2:31][N:32]1[CH:33]1[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][CH:42]([CH2:43][c:44]2[cH:45][c:46]([O:52][CH3:53])[c:47]([OH:51])[c:48]([CH3:50])[cH:49]2)[C:54](=[O:55])[OH:56])[CH2:37][CH2:38]1.[O:70]1[CH2:71][CH2:72][CH:73]([N:76]2[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]2)[CH2:74][CH2:75]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[O:25]=[C:26]1[NH:27][c:28]2[c:29]([cH:57][cH:58][cH:59][cH:60]2)[CH2:30][CH2:31][N:32]1[CH:33]1[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][CH:42]([CH2:43][c:44]2[cH:45][c:46]([O:52][CH3:53])[c:47]([OH:51])[c:48]([CH3:50])[cH:49]2)[C:54](=[O:56])[N:79]2[CH2:78][CH2:77][N:76]([CH:73]3[CH2:72][CH2:71][O:70][CH2:75][CH2:74]3)[CH2:81][CH2:80]2)[CH2:37][CH2:38]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 219423151-(Oxan-4-yl)piperazineHCID 67273221HCID 67273221, compound

Product 1

HCID 68676752HCID 68676752, compound

Sources & evidence

ORD record
ord-0a7971d1c03548b5bb5787205a6cb5d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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