Ammonium → HCID 44547497, compound

HRID 2326522Notes

Reaction equation

HRID 2326522 reaction equation
[C:69](=[O:70])([OH:71])[O-:72].[CH3:42][N:43]([C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]1[c:49]2[c:50]([n:51][cH:52][cH:53][cH:54]2)[N+:55]([O-:56])=[N:57]1)[CH3:58].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[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:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[Cl-:33].[NH4+:34].[Na+:73].[OH2:68].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41]>>[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])[NH2:43])[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 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 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 44547497HCID 44547497, compound

Sources & evidence

ORD record
ord-7739eb32e3334e2b9459454029fd1399
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…