Ethanol → HCID 46182213, compound

HRID 201727Notes

Reaction equation

HRID 201727 reaction equation
[CH2:79]1[O:80][CH2:81][CH2:82][CH2:83]1.[CH3:69][N:70]([CH2:71][CH2:72][CH2:73][NH2:74])[CH3:75].[CH3:76][CH2:77][OH:78].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:84][CH2:85][Cl:86].[K+:92].[Na+:35].[OH-:34].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[S:87](=[O:88])(=[O:89])([OH:90])[O-:91].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1.[o:1]1[cH:2][c:3](-[c:6]2[cH:7][cH:8][c:9]([NH:19][c:20]3[c:21]4[c:22]([n:23][cH:24][n:25]3)[s:26][c:27]([C:30]([O:32][CH3:31])=[O:33])[c:28]4[CH3:29])[c:10]([O:12][CH:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:11]2)[cH:4][cH:5]1>>[o:1]1[cH:2][c:3](-[c:6]2[cH:7][cH:8][c:9]([NH:19][c:20]3[c:21]4[c:22]([n:23][cH:24][n:25]3)[s:26][c:27]([C:30](=[O:32])[NH:74][CH2:73][CH2:72][CH2:71][N:70]([CH3:69])[CH3:75])[c:28]4[CH3:29])[c:10]([O:12][CH:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:11]2)[cH:4][cH:5]1

Participants

13

Reactant 12

HCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 7993N,N-Dimethyl-1,3-propanediamineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 61778Sulfate, hydrogenHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 46182214HCID 46182214, compound

Product 1

HCID 46182213HCID 46182213, compound

Sources & evidence

ORD record
ord-e2bfaf3143a049af963a3d88cf05ae0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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