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Hydrochloric Acid → 2-(4-(2-(1-(Tert-butoxycarbonyl)piperidin-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenylamino)nicotinic acid

HRID 1537426
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HRID 1537426 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]3[n:17][cH:18][cH:19][c:20]([O:23][c:24]4[c:25]([F:42])[cH:26][c:27]([NH:30][c:31]5[c:32]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:38][cH:39][cH:40][n:41]5)[cH:28][cH:29]4)[c:21]3[s:22]2)[CH2:12][CH2:13]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[ClH:45].[Na+:44].[OH-:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]3[n:17][cH:18][cH:19][c:20]([O:23][c:24]4[c:25]([F:42])[cH:26][c:27]([NH:30][c:31]5[c:32]([C:33](=[O:34])[OH:35])[cH:38][cH:39][cH:40][n:41]5)[cH:28][cH:29]4)[c:21]3[s:22]2)[CH2:12][CH2:13]1
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반응물 5

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67345485Ethyl 2-(4-(2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenylamino)nicotinate

생성물 1

HCID 67348510
2-(4-(2-(1-(Tert-butoxycarbonyl)piperidin-4-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenylamino)nicotinic acid

출처 및 근거

ORD 기록
ord-261b54e4834048b494154c8b5ba9f66f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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