Bicarbonate Ion → HCID 178492655, compound

HRID 318799Notes

Reaction equation

HRID 318799 reaction equation
[C:76](=[O:77])([OH:78])[O-:79].[CH3:49][N:50]([C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]1[c:56]2[c:57]([n:58][cH:59][cH:60][cH:61]2)[N+:62]([O-:63])=[N:64]1)[CH3:65].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[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:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH2:71][CH3:72])([CH3:73])[CH3:74].[NH2:33][CH:34]1[CH:35]([C:39](=[O:40])[NH2:41])[CH2:36][CH2:37][CH2:38]1.[Na+:80].[OH2:75].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48]>>[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:33][CH:34]5[CH:35]([C:39](=[O:40])[NH2:41])[CH2:36][CH2:37][CH2:38]5)[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 14865626Cyclopentanecarboxamide, 2-amino- (9CI)HCID 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 178492655HCID 178492655, compound

Sources & evidence

ORD record
ord-29e87e2e221b47c9ae5095def1b87476
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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