Bicarbonate Ion → HCID 75630614, compound

HRID 688313Notes

Reaction equation

HRID 688313 reaction equation
[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:76][CH2:77][Cl:78].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[NH2:1][CH:2]([C:3]([CH3:4])([OH:5])[CH3:6])[c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH:15]([CH2:16][CH2:17][CH3:18])[CH3:19])[cH:11][cH:12]1.[Na+:75].[O-:71][C:72]([OH:73])=[O:74].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[c:27]1([CH:33]([C:34](=[O:35])[OH:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31][cH:32]1.[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[NH:1]([CH:2]([C:3]([CH3:4])([OH:5])[CH3:6])[c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH:15]([CH2:16][CH2:17][CH3:18])[CH3:19])[cH:11][cH:12]1)[C:34]([CH:33]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH3:37])=[O:35]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 102962-Phenylpropionic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67085969HCID 67085969, compound

Product 1

HCID 75630614HCID 75630614, compound

Sources & evidence

ORD record
ord-0b3999df54ab4fee8460c6d3984dc173
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…