Bicarbonate Ion → HCID 59700203, compound

HRID 1574836Notes

Reaction equation

HRID 1574836 reaction equation
[C:64](=[O:65])([OH:66])[O-:67].[CH3:53][N:54]([CH2:55][CH2:56][N:57]1[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]1)[CH3:63].[CH3:69][C:70]#[N:71].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[Cl:1][c:2]1[c:3]([OH:28])[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[nH:17][cH:18][c:19]3-[c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:10]1.[Na+:68].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Cl:1][c:2]1[c:3]([OH:28])[c:4]([C:5](=[O:6])[N:60]2[CH2:59][CH2:58][N:57]([CH2:56][CH2:55][N:54]([CH3:53])[CH3:63])[CH2:62][CH2:61]2)[cH:8][c:9](-[c:11]2[cH:12][c:13]3[c:14]([n:15][cH:16]2)[nH:17][cH:18][c:19]3-[c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:10]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 27362291-(2-(Dimethylamino)ethyl)piperazineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57731641HCID 57731641, compound

Product 1

HCID 59700203HCID 59700203, compound

Sources & evidence

ORD record
ord-88194d0e31294fa4bfebbc9e1e7f30d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…