Bicarbonate Ion → HCID 44547796, compound

HRID 1148396

Reaction equation

HRID 1148396 reaction equation
[C:74](=[O:75])([OH:76])[O-:77].[CH3:47][N:48]([C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]1[c:54]2[c:55]([n:56][cH:57][cH:58][cH:59]2)[N+:60]([O-:61])=[N:62]1)[CH3:63].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[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:64]([N:65]([CH:66]([CH3:67])[CH3:68])[CH2:69][CH3:70])([CH3:71])[CH3:72].[Na+:78].[OH2:73].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[s:33]1[cH:34][c:35]([CH2:38][NH2:39])[cH:36][cH:37]1>>[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:28])[NH:39][CH2:38][c:35]5[cH:34][s:33][cH:37][cH:36]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 27763813-ThiophenemethylamineHCID 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 44547796HCID 44547796, compound

Sources & evidence

ORD record
ord-3c7196c1415a476cb586f81bc7d8ef28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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