Dimethylformamide → HCID 69491888, compound

HRID 694324Notes

Reaction equation

HRID 694324 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7][c:8]([NH2:10])[s:9]1.[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20](=[O:21])[NH:22][CH2:23][CH:24]([CH:25]([C:26]#[C:27][CH3:28])[OH:29])[NH:30][C:31]([CH2:32][C:33](=[O:34])[OH:35])=[O:36].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:70][CH2:71][Cl:72].[Li:11].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7][c:8]([NH:10][C:33]([CH2:32][C:31]([NH:30][CH:24]([CH2:23][NH:22][C:20]([O:19][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:21])[CH:25]([C:26]#[C:27][CH3:28])[OH:29])=[O:36])=[O:34])[s:9]1

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 170170ButhidazolamineHCID 3028194LithiumHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178450528HCID 178450528, compound

Product 1

HCID 69491888HCID 69491888, compound

Sources & evidence

ORD record
ord-278106d356824ff1b0f8349e73d13fc0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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