Bicarbonate Ion → HCID 58710011, compound

HRID 2349377Notes

Reaction equation

HRID 2349377 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[Cl:22])[nH:23]2)=[CH:12][CH2:13]1.[C:46](=[O:47])([OH:48])[O-:49].[C:51]([O:52][C:53]([O:54][C:55]([O:56][C:57]([CH3:58])([CH3:59])[CH3:60])=[O:61])=[O:62])([CH3:63])([CH3:64])[CH3:65].[Cl:24][c:25]1[cH:26][c:27]([NH2:38])[cH:28][c:29]([N:31]2[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]2)[cH:30]1.[Na+:50].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[NH:38][c:27]3[cH:26][c:25]([Cl:24])[cH:30][c:29]([N:31]4[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]4)[cH:28]3)[nH:23]2)=[CH:12][CH2:13]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 90495Di-tert-butyl dicarbonateHCID 58709797tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylateHCID 58709802HCID 58709802, compound

Product 1

HCID 58710011HCID 58710011, compound

Sources & evidence

ORD record
ord-0ec00eac883642dca936be3fbaee1036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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