Hydrochloric Acid → Ethyl 2-((8-(benzyloxy)-5-(5-(tert-butoxycarbonylamino)-N-methylpentylsulfonamido)-1,6-naphthyridine-7-carboxamido)methyl)-5-fluorobenzoate

HRID 2150534Notes

Reaction equation

HRID 2150534 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:37](=[O:38])[OH:39])[n:11][c:12]([N:19]([S:20](=[O:21])(=[O:22])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH3:36])[c:13]2[cH:14][cH:15][cH:16][n:17][c:18]12.[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[Cl:88][CH2:89][Cl:90].[ClH:73].[NH2:74][CH2:75][c:76]1[c:77]([C:78](=[O:79])[O:80][CH2:81][CH3:82])[cH:83][c:84]([F:87])[cH:85][cH:86]1.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:37](=[O:38])[NH:74][CH2:75][c:76]2[c:77]([C:78](=[O:79])[O:80][CH2:81][CH3:82])[cH:83][c:84]([F:87])[cH:85][cH:86]2)[n:11][c:12]([N:19]([S:20](=[O:21])(=[O:22])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH3:36])[c:13]2[cH:14][cH:15][cH:16][n:17][c:18]12

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 67109675Ethyl 2-(aminomethyl)-5-fluorobenzoateHCID 671099298-(benzyloxy)-5-(5-(tert-butoxycarbonylamino)-N-methylpentylsulfonamido)-1,6-naphthyridine-7-carboxylic acid

Product 1

HCID 68009395Ethyl 2-((8-(benzyloxy)-5-(5-(tert-butoxycarbonylamino)-N-methylpentylsulfonamido)-1,6-naphthyridine-7-carboxamido)methyl)-5-fluorobenzoate

Sources & evidence

ORD record
ord-dabf9a6043f3422d8a6806428fd43453
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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