Sodium ion → HCID 58015020, compound

HRID 1121203Notes

Reaction equation

HRID 1121203 reaction equation
[C:57]([CH3:58])([CH3:59])([CH3:60])[O:61][C:62]([NH:63][CH:64]1[CH2:65][CH2:66][CH:67]([NH2:70])[CH2:68][CH2:69]1)=[O:71].[CH3:40][N:41]([C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]1[c:47]2[c:48]([n:49][cH:50][cH:51][cH:52]2)[N+:53]([O-:54])=[N:55]1)[CH3:56].[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[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.[Cl:75][CH2:76][Cl:77].[Na+:73].[OH-:72].[OH2:74].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39]>>[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:70][CH:67]5[CH2:66][CH2:65][CH:64]([NH:63][C:62]([O:61][C:57]([CH3:58])([CH3:59])[CH3:60])=[O:71])[CH2:69][CH2:68]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 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 2756050Cis tert-Butyl 4-aminocyclohexylcarbamateHCID 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 58015020HCID 58015020, compound

Sources & evidence

ORD record
ord-7b9f56d2695b44af8e250feb899a3442
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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