Hydrochloric Acid → Ethyl 2-((8-(benzyloxy)-5-(4-(4-(tert-butoxycarbonylamino)butyl)-piperazin-1-yl)-1,6-naphthyridine-7-carboxamido)methyl)-5-fluorobenzoate

HRID 284384Notes

Reaction equation

HRID 284384 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]2[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][CH2:27][CH2:28][NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:23][CH2:24]2)[c:13]2[cH:14][cH:15][cH:16][n:17][c:18]12.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[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-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]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]2[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][CH2:27][CH2:28][NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:23][CH2:24]2)[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 680093878-(Benzyloxy)-5-(4-(4-(tert-butoxycarbonylamino)butyl)piperazin-1-yl)-1,6-naphthyridine-7-carboxylic acid

Product 1

HCID 68009254Ethyl 2-((8-(benzyloxy)-5-(4-(4-(tert-butoxycarbonylamino)butyl)-piperazin-1-yl)-1,6-naphthyridine-7-carboxamido)methyl)-5-fluorobenzoate

Sources & evidence

ORD record
ord-d3d9300a5a32400e8d9fae390f583123
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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