Bicarbonate Ion → HCID 57590076, compound

HRID 1559266Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][C:10](=[O:31])[N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[c:22]4[n:23]([c:24]([Br:27])[cH:25][n:26]3)[n:28][cH:29][n:30]4)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:44][CH2:45][Cl:46].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[NH:8]1[CH2:9][C:10](=[O:31])[N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][c:21]3[c:22]4[n:23]([c:24]([Br:27])[cH:25][n:26]3)[n:28][cH:29][n:30]4)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

Reactant 5

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 866196644-[4-(5-Bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamino)-phenyl]-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 57590076HCID 57590076, compound

Sources & evidence

ORD record: ord-cb11764a608e4a50943d2d11ca8e05dd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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