Bicarbonate Ion → HCID 44548267, compound

HRID 1212948Notes

Reaction equation

HRID 1212948 reaction equation
[C:73](=[O:74])([OH:75])[O-:76].[CH3:33][N:34]([CH2:35][CH2:36][NH2:37])[CH3:38].[CH3:46][N:47]([C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]1[c:53]2[c:54]([n:55][cH:56][cH:57][cH:58]2)[N+:59]([O-:60])=[N:61]1)[CH3:62].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:63]([N:64]([CH:65]([CH3:66])[CH3:67])[CH2:68][CH3:69])([CH3:70])[CH3:71].[Na+:77].[OH2:72].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[NH:37][CH2:36][CH2:35][N:34]([CH3:33])[CH3:38])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 66053N,N-DimethylethylenediamineHCID 81531DiisopropylethylamineHCID 252529054-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acidHCID 178484291HCID 178484291, compound

Product 1

HCID 44548267HCID 44548267, compound

Sources & evidence

ORD record
ord-891acf100f6e45169a47ee1cd6f042b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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