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Hydrochloric Acid → 2-((8-(Benzyloxy)-5-(4-(4-(tert-butoxycarbonylamino)butyl)piperazin-1-yl)-1,6-naphthyridine-7-carboxamido)methyl)-5-fluorobenzoic acid

HRID 666598
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HRID 666598 반응식
[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:39][CH2:40][c:41]2[c:42]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:48][c:49]([F:52])[cH:50][cH:51]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.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[ClH:56].[Li+:54].[OH-:53].[OH2:55].[OH2:62]>>[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:39][CH2:40][c:41]2[c:42]([C:43](=[O:44])[OH:45])[cH:48][c:49]([F:52])[cH:50][cH:51]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
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68009254Ethyl 2-((8-(benzyloxy)-5-(4-(4-(tert-butoxycarbonylamino)butyl)-piperazin-1-yl)-1,6-naphthyridine-7-carboxamido)methyl)-5-fluorobenzoate

생성물 1

HCID 68009419
2-((8-(Benzyloxy)-5-(4-(4-(tert-butoxycarbonylamino)butyl)piperazin-1-yl)-1,6-naphthyridine-7-carboxamido)methyl)-5-fluorobenzoic acid

출처 및 근거

ORD 기록
ord-35744b28541c4c2dbbef291e6de39ae5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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