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Hydrochloric Acid → 5-(4-(2-((Tert-butoxycarbonylamino)methyl)-5-fluorobenzamido)-N-methylbutylsulfonamido)-8-(tosyloxy)-1,6-naphthyridine-7-carboxylic acid

HRID 2126297
Notes
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Reaction equation

HRID 2126297 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[c:11]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[N:22]([CH3:23])[c:24]2[c:25]3[cH:26][cH:27][cH:28][n:29][c:30]3[c:31]([O:38][S:39](=[O:40])(=[O:41])[c:42]3[cH:43][cH:44][c:45]([CH3:46])[cH:47][cH:48]3)[c:32]([C:34](=[O:35])[O:36][CH3:37])[n:33]2)[cH:49][c:50]([F:53])[cH:51][cH:52]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[ClH:61].[Li+:59].[OH-:60].[OH2:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[c:11]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[N:22]([CH3:23])[c:24]2[c:25]3[cH:26][cH:27][cH:28][n:29][c:30]3[c:31]([O:38][S:39](=[O:40])(=[O:41])[c:42]3[cH:43][cH:44][c:45]([CH3:46])[cH:47][cH:48]3)[c:32]([C:34](=[O:35])[OH:36])[n:33]2)[cH:49][c:50]([F:53])[cH:51][cH:52]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 86667517
Methyl 5-(4-(2-((tert-butoxycarbonylamino)methyl)-5-fluorobenzamido)-N-methylbutylsulfonamido)-8-(tosyloxy)-1,6-naphthyridine-7-carboxylate

Product 1

HCID 866675185-(4-(2-((Tert-butoxycarbonylamino)methyl)-5-fluorobenzamido)-N-methylbutylsulfonamido)-8-(tosyloxy)-1,6-naphthyridine-7-carboxylic acid

Sources & evidence

ORD record
ord-1c5d92fbf75243f5a8d27942473593b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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