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Hydrochloric Acid → 1-{5-[3-(Aminosulfonyl)phenyl]-6-(4-fluorophenyl)-2-(trifluoro methyl)pyrimidin-4-yl}piperidine-4-carboxylic acid

HRID 105987
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반응식

HRID 105987 반응식
[ClH:42].[Li+:41].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:11]2[c:12]([N:28]3[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:32][CH2:33]3)[n:13][c:14]([C:24]([F:25])([F:26])[F:27])[n:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:8][cH:9][cH:10]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:40].[OH2:39].[OH2:48]>>[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:11]2[c:12]([N:28]3[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[OH:36])[CH2:32][CH2:33]3)[n:13][c:14]([C:24]([F:25])([F:26])[F:27])[n:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:8][cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 24959756Ethyl 1-{5-[3-(aminosulfonyl)phenyl]-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-yl}piperidine-4-carboxylate

생성물 1

HCID 24961957
1-{5-[3-(Aminosulfonyl)phenyl]-6-(4-fluorophenyl)-2-(trifluoro methyl)pyrimidin-4-yl}piperidine-4-carboxylic acid

출처 및 근거

ORD 기록
ord-bf27f2615ccb45ebb8dab7fcc98fa892
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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