Bicarbonate Ion → HCID 44547644, compound

HRID 1223303Notes

Reaction equation

HRID 1223303 reaction equation
[C:83](=[O:84])([OH:85])[O-:86].[CH3:33][O:34][CH2:35][CH2:36][CH2:37][NH2:38].[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].[CH3:88][N:89]([CH3:90])[CH:91]=[O:92].[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:73]([N:74]([CH:75]([CH3:76])[CH3:77])[CH2:78][CH3:79])([CH3:80])[CH3:81].[Na+:87].[OH2:82].[OH:63][n:64]1[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1.[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:28])[NH:38][CH2:37][CH2:36][CH2:35][O:34][CH3:33])[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 16723-MethoxypropylamineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 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 44547644HCID 44547644, compound

Sources & evidence

ORD record
ord-bc780146612848febb7a132302b1dcd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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