Bicarbonate Ion → HCID 44548098, compound

HRID 2149456Notes

Reaction equation

HRID 2149456 reaction equation
[C:85](=[O:86])([OH:87])[O-:88].[CH3:48][N:49]([C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]1[c:55]2[c:56]([n:57][cH:58][cH:59][cH:60]2)[N+:61]([O-:62])=[N:63]1)[CH3:64].[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.[CH:33]([CH3:34])([CH3:35])[NH:36][CH2:37][CH2:38][CH2:39][NH2:40].[CH:75]([N:76]([CH:77]([CH3:78])[CH3:79])[CH2:80][CH3:81])([CH3:82])[CH3:83].[Na+:89].[OH2:84].[OH:65][n:66]1[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1.[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47]>>[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:40][CH2:39][CH2:38][CH2:37][NH:36][CH:33]([CH3:34])[CH3:35])[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

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 76888N-Isopropylpropane-1,3-diamineHCID 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 44548098HCID 44548098, compound

Sources & evidence

ORD record
ord-145b556fbfc444a092d20a57af8da4e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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