Bicarbonate Ion → HCID 58015123, compound

HRID 315023Notes

Reaction equation

HRID 315023 reaction equation
[C:66]([CH3:67])([CH3:68])([CH3:69])[O:70][C:71](=[O:72])[N:73]1[CH2:74][CH2:75][N:76]([CH2:79][CH:80]([CH2:81][NH2:82])[OH:83])[CH2:77][CH2:78]1.[C:85](=[O:86])([OH:87])[O-:88].[CH2:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH:62]([CH3:63])[CH3:64])[CH3:65].[CH3:40][N:41]([C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]1[c:47]2[c:48]([n:49][cH:50][cH:51][cH:52]2)[N+:53]([O-:54])=[N:55]1)[CH3:56].[CH3:90][N:91]([CH3:92])[CH:93]=[O:94].[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.[Na+:89].[OH2:84].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39]>>[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:82][CH2:81][CH:80]([CH2:79][N:76]5[CH2:75][CH2:74][N:73]([C:71]([O:70][C:66]([CH3:67])([CH3:68])[CH3:69])=[O:72])[CH2:78][CH2:77]5)[OH:83])[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 81531DiisopropylethylamineHCID 2756369(+/-)-1-amino-3-n-(4'-boc-piperazinyl)-2-propanolHCID 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 58015123HCID 58015123, compound

Sources & evidence

ORD record
ord-1b08be82f5f747aabf09aff269b7be24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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