Bicarbonate Ion → HCID 59451645, compound

HRID 2153409Notes

Reaction equation

HRID 2153409 reaction equation
[CH3:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][c:28]([O:30][CH3:31])[cH:29]1.[CH3:70][C:71]#[N:72].[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([Cl:19])[c:7]([O:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][c:16]([Cl:18])[cH:17]2)[cH:8]1.[Na+:69].[O-:65][C:66]([OH:67])=[O:68].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([Cl:19])[c:7]([O:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][c:16]([Cl:18])[cH:17]2)[cH:8]1)[C:23]([c:22]1[c:21]([CH3:20])[cH:29][c:28]([O:30][CH3:31])[cH:27][cH:26]1)=[O:24]

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5972164-Methoxy-2-methylbenzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594514053-{[5-(Aminomethyl)-2-chlorophenyl]oxy}-5-chlorobenzonitrile

Product 1

HCID 59451645HCID 59451645, compound

Sources & evidence

ORD record
ord-d7c27f02c0d64addaa951aa5e33c9eef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…