Bicarbonate Ion → HCID 178463700, compound

HRID 183941Notes

Reaction equation

HRID 183941 reaction equation
[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:34][c:35]1[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([O:43][c:44]2[c:45]([F:55])[c:46]([CH2:51][NH:52][CH2:53][CH3:54])[cH:47][cH:48][c:49]2[Cl:50])[cH:42]1.[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1.[nH:56]1[cH:57][n:58][c:59]([C:61](=[O:62])[OH:63])[cH:60]1>>[Cl:34][c:35]1[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([O:43][c:44]2[c:45]([F:55])[c:46]([CH2:51][N:52]([CH2:53][CH3:54])[C:61]([c:59]3[n:58][cH:57][nH:56][cH:60]3)=[O:63])[cH:47][cH:48][c:49]2[Cl:50])[cH:42]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 684856043-Chloro-5-({6-chloro-3-[(ethylamino)methyl]-2-fluorophenyl}oxy)benzonitrileHCID 178524800HCID 178524800, compound

Product 1

HCID 178463700HCID 178463700, compound

Sources & evidence

ORD record
ord-4e8d1613bcb44b7ebcca54f272f9174f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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